SCHEMBL141824

SCHEMBL141824

[C]1Cc2cccc3cccc1c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 9/20 0.39
HPGD P15428 6/20 0.39
HSD17B10 Q99714 6/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KDM4E B2RXH2 5/20 0.38
TYMS P04818 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
PARP1 P09874 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.32
GAA P10253 3/20 0.31
MAPT P10636 3/20 0.31
CES2 O00748 1/20 0.31

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
SCHEMBL4396833 1.00 TSHR (0.46) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL1191865 0.80 TSHR (0.41) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL1385568 0.74 CYP3A4 (0.40) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL2144679 0.74
SCHEMBL9630603 0.74
SCHEMBL1840524 0.70 PARP1 (0.42) TSHRCYP3A4ALDH1A1HPGDHSD17B10
SCHEMBL7548249 0.67 MAOA (0.37) TSHRALDH1A1HPGDCYP1A2KDM4E
SCHEMBL7548244 0.67 MAOA (0.37) TSHRALDH1A1HPGDCYP1A2KDM4E
SCHEMBL1663773 0.66 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1HPGDHSD17B10
Acenaphthene SCHEMBL3416108 0.66 TSHR (0.57) TSHRCYP3A4ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399200-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Mitsubishi Gas Chemical Company, Inc. (JP) 2024-07-17 EP claimed
EP-4399199-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Reuter Chemische Apparatebau e.K. (DE) 2024-07-17 EP claimed
WO-2024115460-A1 BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-06-06 WO claimed
US-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors YALE UNIVERSITY (US) 2024-06-04 US claimed
CN-118043298-A (Hetero) aryl-substituted bisphenol compound and thermoplastic resin 罗伊特化学仪器制造公司 2024-05-14 CN claimed
CN-117940399-A Heteroaryl or aryl substituted bisphenol compounds and thermoplastic resins 三菱瓦斯化学株式会社 2024-04-26 CN claimed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US claimed
WO-2023208837-A1 OLIGOMERIC BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2023-11-02 WO claimed
WO-2023210833-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-02 WO claimed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US claimed
CN-1919851-A Organosiloxane compound and organic light-emitting device comprising the same SAMSUNG SDI CO LTD (KR) 2007-02-28 CN claimed
US-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 US claimed
WO-2006131519-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-14 WO claimed
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 US claimed
CN-1575269-A Novel soluble compound and organic electroluminescent element IDEMITSU KOSAN CO (JP) 2005-02-02 CN claimed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
US-5312707-A Compositions for images RICOH COMPANY, LTD. (JP) 1994-05-17 US claimed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 WO claimed
US-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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 (4 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-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors MIF, MMP12, CSF1R TSHR 4253/4885CYP3A4 2748/4885ALDH1A1 2824/4885
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 TSHR 1467/4885CYP3A4 113/4885ALDH1A1 2431/4885
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds HNMT, PNMT, INMT TSHR 1669/4885CYP3A4 39/4885ALDH1A1 718/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS TSHR 2616/4885CYP3A4 3094/4885ALDH1A1 3193/4885

“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.