SCHEMBL3876089

SCHEMBL3876089

COC(OC)c1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
CA12 O43570 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TPMT P51580 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRD5A2 P31213 3/20 0.46
HTT P42858 2/20 0.46
ANPEP P15144 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 1/20 0.45
CA3 P07451 1/20 0.44

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
Bromide SCHEMBL10487161 0.98 CA1 (0.52) CA1CA2TSHRTP53CA12
SCHEMBL6715937 0.94 RXRA (0.53) CA1CA2TSHRTP53CA12
SCHEMBL14714654 0.89 RARB (0.53) CA1CA2TSHRTP53CA12
SCHEMBL6924039 0.83 MAPT (0.50) KMT2AALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL792181 0.83 CA1 (0.54) CA1CA2TSHRTP53CA12
SCHEMBL6467238 0.81 CA1 (0.52) CA1CA2TSHRTP53CA12
SCHEMBL5639207 0.81 CA1 (0.57) CA1CA2TSHRCA12CA7
SCHEMBL10487158 0.81 HPGD (0.39) CA1CA2TSHRCA12CA4
SCHEMBL14829371 0.81 PARP10 (0.55) CA1CA2TSHRKMT2AALDH1A1
SCHEMBL27566996 0.80 SRD5A2 (0.59) CA1CA2TSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530617-B Branched polyethylene glycol heterobifunctional derivative, preparation method thereof and two-component bio-related substance conjugate thereof 厦门赛诺邦格生物科技股份有限公司 2020-11-27 CN disclosed
CN-108530617-A A kind of branched polyethylene glycol Heterobifunctional derivative, preparation method and its two-component bio-related substance conjugate 厦门赛诺邦格生物科技股份有限公司 2018-09-14 CN disclosed
US-20140273010-A1 ACID-CLEAVABLE AND CLICKABLE AFFINITY CAPTURE PROBE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-09-18 US disclosed
US-20140273010-A1 ACID-CLEAVABLE AND CLICKABLE AFFINITY CAPTURE PROBE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-09-18 US disclosed
CN-101611005-B Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA AS 2013-11-06 CN disclosed
CN-101193862-B Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD 2013-08-21 CN disclosed
US-20110223257-A1 RELEASABLE FUSOGENIC LIPIDS FOR NUCLEIC ACIDS DELIVERY SYSTEMS ENZON PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
CN-102082297-A Lithium iron phosphate power lithium ion battery electrolyte DONGGUAN SHANSHAN BATTERY MATERIALS CO LTD 2011-06-01 CN disclosed
CN-101611005-A Be used as the acetophenones of the replacement of PDE4 inhibitor LEO PHARMA AS (DK) 2009-12-23 CN disclosed
US-7538182-B2 Polypeptide and protein derivatives and process for their preparation AMYLIN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20040081660-A1 Polypeptide and protein derivatives and process for their preparation AMYLIN PHARMACEUTICALS, INC. 2004-04-29 US disclosed
CN-1471525-A Triazole derivatives and pharmaceutical compositions containing them ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-01-28 CN disclosed
US-6673347-B1 CONJUGATED TO POLYMER VIA SCHIFF BASE, HYDRAZONE, OXIME, OR AZOMETHINE COMPOUND; DIAGNOSING TUMORS AND METASTASIS GRYPHON THERAPEUTICS 2004-01-06 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
EP-0507950-B1 PROCESS FOR PRODUCING DIACETALS NEW JAPAN CHEM CO LTD (JP) 1998-04-08 EP disclosed
EP-0243929-B1 Polypeptide and protein derivatives and process for their preparation OFFORD ROBIN EWART (CH) 1995-09-27 EP disclosed
EP-0507950-A1 PROCESS FOR PRODUCING DIACETAL NEW JAPAN CHEMICAL CO.,LTD. (JP) 1992-10-14 EP disclosed
EP-0243929-A2 Polypeptide and protein derivatives and process for their preparation Offord, Robin Ewart (CH) 1987-11-04 EP 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 (3 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CA1 3983/4885CA2 2652/4885TSHR 3692/4885
US-20110223257-A1 RELEASABLE FUSOGENIC LIPIDS FOR NUCLEIC ACIDS DELIVERY SYSTEMS FUS, HNRNPUL2, HNRNPDL CA1 3181/4885CA2 3761/4885TSHR 3293/4885
US-20040081660-A1 Polypeptide and protein derivatives and process for their preparation INSRR, GIPR, HM13 CA1 2817/4885CA2 3858/4885TSHR 157/4885

“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.