SCHEMBL4590165

SCHEMBL4590165

[C]#Cc1ccccc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16952253 0.79 CA2 (0.40) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL717061 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL6346979 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL8099528 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL536089 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL1861089 0.76 ALDH1A1 (0.39) ALDH1A1TSHRTDP1KIF11MAPT
SCHEMBL179312 0.76 TSHR (0.50) ALDH1A1TSHRTDP1CA2
Ethane SCHEMBL2153712 0.74 TSHR (0.48) ALDH1A1TSHRTDP1CA2
Ethylene SCHEMBL28248107 0.73 TSHR (0.46) ALDH1A1TSHRTDP1CA2
SCHEMBL5475379 0.73 TSHR (0.35) ALDH1A1TSHRMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7408060-B2 Nonsteroidal progesterone receptor modulators SCHERING AG (DE) 2008-08-05 US claimed
EP-1902049-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
EP-1899315-A1 BENZOFURANONE DERIVATIVES AS NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS Schering Aktiengesellschaft (DE) 2008-03-19 EP claimed
US-20070142464-A1 Nonsteroidal progesterone receptor modulators SCHERING AG (DE) 2007-06-21 US claimed
US-20070010514-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 US claimed
WO-2006136462-A1 BENZOFURANONE DERIVATIVES AS NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
WO-2006136461-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
US-8372871-B2 Histidinol dehydrogenase inhibitors, and use thereof as medicaments CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-02-12 US disclosed
US-20120129907-A1 HISTIDINOL DEHYDROGENASE INHIBITORS, AND USE THEREOF AS MEDICAMENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-24 US disclosed
US-5284821-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
US-5256633-A Applying pre or postemergence BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
US-5244867-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 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 (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-20120129907-A1 HISTIDINOL DEHYDROGENASE INHIBITORS, AND USE THEREOF AS MEDICAMENTS MDH2, MDH1, G6PD ALDH1A1 110/4885TSHR 3806/4885TDP1 1599/4885
US-20070010514-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, CYP19A1 ALDH1A1 1444/4885TSHR 123/4885TDP1 3156/4885
US-20070142464-A1 Nonsteroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 ALDH1A1 1023/4885TSHR 225/4885TDP1 3346/4885

“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.