SCHEMBL129696

SCHEMBL129696

CCCCCCCCC[NH]

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
DNM1 Q05193 7/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44
EPHX1 P07099 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
SCHEMBL7072895 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL197417 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6385316 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL129402 1.00
SCHEMBL130979 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6387311 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL49384 1.00
SCHEMBL131525 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL6387586 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL128442 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-107987196-A For catalyst constituent for olefinic polymerization and its catalyst 中国石油化工股份有限公司 2018-05-04 CN claimed
CN-107428705-A Histone deacetylase inhibitor and preparation method and application thereof 广东众生药业股份有限公司 2017-12-01 CN claimed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US claimed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US claimed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US claimed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP claimed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP claimed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP claimed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US claimed
WO-1997032882-A1 PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO claimed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP claimed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO claimed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP claimed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP claimed
EP-0332064-A2 Benzocycloheptene derivatives, pharmaceutical preparations containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1989-09-13 EP claimed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP claimed
EP-0243841-A1 Benzo[d,e]isoquinoline-1,3 diones, their preparation and use KNOLL AG (DE) 1987-11-04 EP claimed
EP-0223937-A1 Indoles substituted with heterocycles, intermediates, process for their preparation and medicaments Roche Diagnostics GmbH (DE) 1987-06-03 EP claimed
US-4281134-A FUNGICIDES, PLANT GROWTH REGULATORS SHELL OIL COMPANY (US) 1981-07-28 US claimed

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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885THRB 3927/4885DNM1 182/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885THRB 3927/4885DNM1 182/4885

“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.