SCHEMBL2951870

SCHEMBL2951870

CC(C)Cc1ccc(O)c(Br)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.55
GABRB2 P47870 2/20 0.55
ELANE P08246 2/20 0.43
CTSG P08311 1/20 0.43
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 4/20 0.37
ALOX12 P18054 4/20 0.37
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
HIF1A Q16665 2/20 0.34
HSP90AA1 P07900 2/20 0.34

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
SCHEMBL6346017 0.81 GABRA1 (0.61) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL5319104 0.81 TYR (0.40) GABRA1GABRB2PTPN1
SCHEMBL1829702 0.80 TP53 (0.37) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL5317566 0.80 PRKCI (0.36) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL5587185 0.80 GABRA1 (0.73) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL31015759 0.73 GABRA1 (0.52) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL23387408 0.72 GABRA1 (0.61) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL29079425 0.72 GABRA1 (0.61) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL2096847 0.72 GABRA1 (0.63) GABRA1GABRB2KDM4EHPGDALOX15
SCHEMBL864085 0.72 GABRA1 (1.00) GABRA1GABRB2ELANECTSGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC GABRA1 839/4885GABRB2 861/4885ELANE 2701/4885

“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.