SCHEMBL14749898

SCHEMBL14749898

CCc1cccc(C2CO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
PARP1 P09874 1/20 0.46
SLC5A2 P31639 2/20 0.40
SLC5A1 P13866 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TP53 P04637 1/20 0.38
DRD3 P35462 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM5 P08912 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL15281735 0.85 DRD3 (0.48) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL30988806 0.83 SLC5A2 (0.36) TSHRPARP1SLC5A2SLC5A1SIGMAR1
SCHEMBL29256520 0.83 SLC5A2 (0.36) TSHRPARP1SLC5A2SLC5A1SIGMAR1
SCHEMBL4332736 0.81 TSHR (0.48) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL28261596 0.81 PARP1 (0.50) TSHRPARP1
SCHEMBL5271487 0.80 SPHK2 (0.52) SLC6A2SLC6A4
SCHEMBL14753778 0.79 TSHR (0.39) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL11941052 0.79 SMN1; SMN2 (0.49) SLC5A2SLC5A1CHRM2CHRM3CHRM4
SCHEMBL19101551 0.79 TSHR (0.47) TSHRPARP1CHRM2CHRM3CHRM4
SCHEMBL21974861 0.79 TSHR (0.67) TSHRPARP1CHRM2CHRM3CHRM4

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-118340754-B Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2025-03-11 CN disclosed
CN-119490387-A Compounds for the treatment of pain-related diseases 源道医药(苏州)有限公司 2025-02-21 CN disclosed
CN-118340754-A Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2024-07-16 CN disclosed
EP-3906969-A1 ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF East China University of Science and Technology (CN) 2021-11-10 EP disclosed
WO-2020249117-A1 ANTIHYPERTENSIVE POLYOL COMPOUND AND DERIVATIVE THEREOF 华东理工大学 2020-12-17 WO disclosed
US-9321871-B2 Water insoluble copolymer including pendant aryl epoxide groups DOW GLOBAL TECHNOLOGIES LLC 2016-04-26 US disclosed
US-20150259456-A1 WATER INSOLUBLE COPOLYMER INCLUDING PENDANT ARYL EPOXIDE GROUPS ROHM AND HAAS CHEMICALS LLC 2015-09-17 US disclosed
US-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-08-27 US disclosed
US-9080046-B2 Epoxybenzyl-terminated poly(arylene ether)s, method for preparation thereof, and curable compositions comprising same SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-07-14 US disclosed
US-9080046-B2 Epoxybenzyl-terminated poly(arylene ether)s, method for preparation thereof, and curable compositions comprising same SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-07-14 US disclosed
US-20140058014-A1 EPOXYBENZYL-TERMINATED POLY(ARYLENE ETHER)S, METHOD FOR PREPARATION THEREOF, AND CURABLE COMPOSITIONS COMPRISING SAME SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2014-02-27 US disclosed
US-20140058014-A1 EPOXYBENZYL-TERMINATED POLY(ARYLENE ETHER)S, METHOD FOR PREPARATION THEREOF, AND CURABLE COMPOSITIONS COMPRISING SAME SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2014-02-27 US disclosed
WO-2013032739-A2 EPOXYBENZYL-TERMINATED POLY(ARYLENE ETHER)S, METHOD FOR PREPARATION THEREOF, AND CURABLE COMPOSITIONS COMPRISING SAME SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-03-07 WO disclosed
US-20130059127-A1 EPOXYBENZYL-TERMINATED POLY(ARYLENE ETHER)S, METHOD FOR PREPARATION THEREOF, AND CURABLE COMPOSITIONS COMPRISING SAME SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2013-03-07 US disclosed
US-20130059127-A1 EPOXYBENZYL-TERMINATED POLY(ARYLENE ETHER)S, METHOD FOR PREPARATION THEREOF, AND CURABLE COMPOSITIONS COMPRISING SAME SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2013-03-07 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 (1 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-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES STT3B, STT3A, DDOST TSHR 3638/4885PARP1 4184/4885SLC5A2 1072/4885

“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.