SCHEMBL11062326

SCHEMBL11062326

COC(=O)CCC(C)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
SLC1A1 P43005 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12951358 1.00 TSHR (0.52) TSHRSLC1A1MGAMGAASI
SCHEMBL20767532 0.85 TSHR (0.54) TSHRMGAMGAASIMGAM2
SCHEMBL30593797 0.85 TSHR (0.54) TSHRMGAMGAASIMGAM2
SCHEMBL16489316 0.84 TSHR (0.52) TSHRKMT2ALMNAALDH1A1MAPT
SCHEMBL305284 0.84 TSHR (0.52) TSHRKMT2ALMNAALDH1A1MAPT
SCHEMBL7943410 0.84 TSHR (0.52) TSHRKMT2ALMNAALDH1A1MAPT
SCHEMBL1835136 0.82 CYP1A2 (0.60) TSHRSLC1A1KMT2AMEN1CA12
SCHEMBL265551 0.82 TSHR (0.52) TSHRSLC1A1MGAMGAASI
SCHEMBL16300949 0.82 TSHR (0.52) TSHRSLC1A1MGAMGAASI
SCHEMBL1835138 0.82 CYP1A2 (0.60) TSHRSLC1A1KMT2AMEN1CA12

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107854720-A Medicine-carried polyhydroxylated polymer embolism microball with radiography function and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2018-03-30 CN claimed
CN-107899066-A Cation polyhydroxylated polymer embolism microball and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2018-04-13 CN disclosed
CN-107854720-A Medicine-carried polyhydroxylated polymer embolism microball with radiography function and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2018-03-30 CN disclosed
US-9925528-B2 Catalyst-controlled aliphatic C—H oxidations THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-03-27 US disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
US-9545449-B2 Site-specific labeling and targeted delivery of proteins for the treatment of cancer Advanced Proteone Therapeutics Inc. (US) 2017-01-17 US disclosed
US-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-28 US disclosed
US-20150202314-A1 SITE-SPECIFIC LABELING AND TARGETED DELIVERY OF PROTEINS FOR THE TREATMENT OF CANCER ADVANCED PROTEOME THERAPEUTICS INC. 2015-07-23 US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-4431848-A Preparation of resorcinol and substituted resorcinols by liquid-phase dehydrogenation of 1,3-cyclic diones derived by vapor-phase cyclization of delta-keto carboxylic acid esters KOPPERS COMPANY, INC. (US) 1984-02-14 US disclosed
US-4399310-A Preparation of 1,3-cyclic diones by vapor phase cyclization of delta-keto carboxylic acid esters utilizing carrier condensable under ambient conditions KOPPERS COMPANY, INC. (US) 1983-08-16 US disclosed
EP-0013254-B1 PROCESS FOR THE PREPARATION OF 5-OXOHEXANOIC ACIDS, THEIR ESTERS AND NITRILES HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-04 EP disclosed
EP-0013254-A2 Process for the preparation of 5-oxohexanoic acids, their esters and nitriles HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed
US-4072660-A FROM A 4-OXO-CARBOXYLIC ACID ESTER OR DELTA-ENOL-LACTONE AND STRONG BASE IN GLYCOL DIALKYL ETHER SOLVENT HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed
US-3950438-A Preparation of resorcinol and alkyl-substituted derivatives thereof STAMICARBON B.V. (NL) 1976-04-13 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 (2 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-20150202314-A1 SITE-SPECIFIC LABELING AND TARGETED DELIVERY OF PROTEINS FOR THE TREATMENT OF CANCER KDR, VCAM1, FLT4 TSHR 3148/4885SLC1A1 940/4885MGAM 3059/4885
US-20160214097-A1 CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS HMOX1, SOD3, CYC1 TSHR 3813/4885SLC1A1 2966/4885MGAM 2319/4885

“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.