SCHEMBL9915839

SCHEMBL9915839

c1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ ADORA1 P30542 1/20 0.38
▸ ABCB1 P08183 3/20 0.33
▸ USP2 O75604 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ BRCA1 P38398 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ HBB P68871 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14865834 0.90 PTGS1 (0.41) PTGS1ADORA1USP2MEN1ALDH1A1
SCHEMBL12307300 0.90 PTGS1 (0.48) PTGS1ADORA1ABCB1USP2MEN1
SCHEMBL14865832 0.90 PTGS1 (0.47) PTGS1ADORA1USP2MEN1ALDH1A1
SCHEMBL24137892 0.90 PTGS1 (0.48) PTGS1ADORA1ABCB1USP2MEN1
SCHEMBL14865795 0.89 PTGS1 (0.43) PTGS1ADORA1USP2MEN1ALDH1A1
SCHEMBL13976307 0.89 PTGS1 (0.40) PTGS1ADORA1USP2MEN1ALDH1A1
SCHEMBL12836951 0.89 PTGS1 (0.43) PTGS1ADORA1USP2MEN1ALDH1A1
SCHEMBL13401328 0.88 PTGS1 (0.43) PTGS1ADORA1USP2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL29349584 0.87 PTGS1 (0.42) PTGS1ADORA1
SCHEMBL13977982 0.87 PTGS1 (0.45) PTGS1ADORA1USP2MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — US disclosed
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 — — US disclosed
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 — — US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 — — US disclosed
US-20180221500-A1 Environmentally Sensitive Compositions and Methods of Use Thereof UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2018-08-09 — — US disclosed
US-9855338-B2 Polyglutamate-amino acid conjugates and methods NITTO DENKO CORPORATION (JP) 2018-01-02 — — US disclosed
US-9814781-B2 Environmentally sensitive compositions and methods of use thereof RHODE ISLAND COUNCIL ON POSTSECONDARY EDUCATION (STATUTORY SUCCESSOR TO RHODE ISLAND BOARD OF GOVERNORS FOR HIGHER EDUCATION) (US) 2017-11-14 — — US disclosed
US-20170137628-A1 COLOR CONVERSION IN LCD DISPLAYS MOLECULED LTD. (IL) 2017-05-18 — — US disclosed
US-20170139277-A1 COLOR CONVERSION IN LCD DISPLAYS MOLECULED LTD. (IL) 2017-05-18 — — US disclosed
US-20170137627-A1 COLOR CONVERSION IN LCD DISPLAYS MOLECULED LTD. (IL) 2017-05-18 — — US disclosed
US-8197828-B2 Compositions that include a hydrophobic compound and a polyamino acid conjugate NITTO DENKO CORPORATION (JP) 2012-06-12 — — US disclosed
US-20120052015-A1 END-CAPPED POLYMERS NITTO DENKO CORPORATION (JP) 2012-03-01 — — US disclosed
US-20110224148-A1 CARBOHYDRATE-POLYAMINO ACID-DRUG CONJUGATES NITTO DENKO CORPORATION (JP) 2011-09-15 — — US disclosed
US-20080279778-A1 POLYGLUTAMATE CONJUGATES AND POLYGLUTAMATE-AMINO ACID CONJUGATES HAVING A PLURALITY OF DRUGS NITTO DENKO CORPORATION (JP) 2008-11-13 — — US disclosed
US-20080279782-A1 POLYMERS CONJUGATED WITH PLATINUM DRUGS NITTO DENKO CORPORATION (JP) 2008-11-13 — — US disclosed
US-20080279777-A1 COMPOSITIONS THAT INCLUDE A HYDROPHOBIC COMPOUND AND A POLYAMINO ACID CONJUGATE NITTO DENKO CORPORATION (JP) 2008-11-13 — — US disclosed
US-20080253969-A1 MULTI-FUNCTIONAL POLYGLUTAMATE DRUG CARRIERS NITTO DENKO CORPORATION (JP) 2008-10-16 — — US disclosed
US-20080181852-A1 Multi-functional Drug Carriers NITTO DENKO CORPORATION (JP) 2008-07-31 — — US disclosed
US-7304146-B2 Fluorogenic kinase assays and substrates APPLERA CORPORATION (US) 2007-12-04 — — US disclosed
US-20070128118-A1 POLYGLUTAMATE-AMINO ACID CONJUGATES AND METHODS NITTO DENKO CORPORATION (JP) 2007-06-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 PTGS1 4712/4885ADORA1 3958/4885ABCB1 2694/4885
US-20080279778-A1 POLYGLUTAMATE CONJUGATES AND POLYGLUTAMATE-AMINO ACID CONJUGATES HAVING A PLURALITY OF DRUGS QPCT, SGTA, GLUL PTGS1 2922/4885ADORA1 1416/4885ABCB1 345/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT PTGS1 4333/4885ADORA1 4341/4885ABCB1 4488/4885
US-20080253969-A1 MULTI-FUNCTIONAL POLYGLUTAMATE DRUG CARRIERS CD44, SGTA, IDUA PTGS1 3397/4885ADORA1 3460/4885ABCB1 129/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 PTGS1 337/4885ADORA1 565/4885ABCB1 736/4885
US-20180221500-A1 Environmentally Sensitive Compositions and Methods of Use Thereof PHLPP1, PHLPP2, FABP2 PTGS1 3438/4885ADORA1 4477/4885ABCB1 2868/4885
US-20070128118-A1 POLYGLUTAMATE-AMINO ACID CONJUGATES AND METHODS FOLH1, SLC7A1, SLC3A2 PTGS1 2428/4885ADORA1 2644/4885ABCB1 1133/4885
US-20080181852-A1 Multi-functional Drug Carriers SLC7A1, SLC19A1, SLC43A1 PTGS1 2340/4885ADORA1 1263/4885ABCB1 85/4885
US-20120052015-A1 END-CAPPED POLYMERS CAPG, ECPAS, PUF60 PTGS1 4455/4885ADORA1 3631/4885ABCB1 1199/4885
US-20110224148-A1 CARBOHYDRATE-POLYAMINO ACID-DRUG CONJUGATES CSGALNACT1, FUT6, FUT5 PTGS1 2233/4885ADORA1 1635/4885ABCB1 558/4885
US-20080279777-A1 COMPOSITIONS THAT INCLUDE A HYDROPHOBIC COMPOUND AND A POLYAMINO ACID CONJUGATE SLC7A1, MSN, CD44 PTGS1 4305/4885ADORA1 2370/4885ABCB1 329/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT PTGS1 4333/4885ADORA1 4341/4885ABCB1 4488/4885
US-20080279782-A1 POLYMERS CONJUGATED WITH PLATINUM DRUGS FOLR1, PAICS, ABCC1 PTGS1 1179/4885ADORA1 3220/4885ABCB1 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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