SCHEMBL4835012

SCHEMBL4835012

CC(=O)c1c(C)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.53
TSHR P16473 3/20 0.52
CYP2A6 P11509 3/20 0.52
CYP1A2 P05177 2/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 3/20 0.46
TP53 P04637 1/20 0.46
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL29626829 0.86 TSHR (0.54) NCEH1TSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL230034 0.86 TSHR (0.54) NCEH1TSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL11575609 0.84 TSHR (0.52) NCEH1TSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL224932 0.84 HPGD (0.59) TSHRCYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL6917579 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL6916502 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL6916761 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL6917031 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2ALDH1A1HPGD
SCHEMBL6915993 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2ALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL7720483 0.82 CYP1A2 (0.57) TSHRCYP2A6CYP1A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4364152-A None JP disclosed
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-02-09 US disclosed
US-20160181543-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20100120700-A1 METHODS AND COMPOSITIONS FOR TREATING CERVICAL CANCER ARBOR VITA CORPORATION (US) 2010-05-13 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20070197524-A1 Fluorenes and carbazoles as ligands of the EP2 receptor BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-08-23 US disclosed
EP-0877012-A2 Process for the production of high-purity dimethyl 2,6-naphthalenedicarboxylate and naphthalenedicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-11-11 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
JP-H04364152-A METHOD FOR RECOVERING CATALYST TEIJIN LTD 1992-12-16 JP disclosed
EP-0291172-B1 KETONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
US-5084474-A Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole GLAXO GROUP LIMITED (GB) 1992-01-28 US disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 US disclosed
US-4918080-A ANXIOLYTIC AGENTS, ANTIEMETICS GLAXO GROUP LIMITED (GB) 1990-04-17 US disclosed
EP-0291172-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1988-11-17 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 (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-20070197524-A1 Fluorenes and carbazoles as ligands of the EP2 receptor PTGER2, PTGER1, PTGDR2 NCEH1 1668/4885TSHR 207/4885CYP2A6 434/4885
US-20100120700-A1 METHODS AND COMPOSITIONS FOR TREATING CERVICAL CANCER MAGI3, PDLIM5, PYM1 NCEH1 2175/4885TSHR 4574/4885CYP2A6 4866/4885
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 NCEH1 3430/4885TSHR 4244/4885CYP2A6 3819/4885
US-20160181543-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE RER1, LEF1, RPL18 NCEH1 544/4885TSHR 383/4885CYP2A6 3352/4885

“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.