SCHEMBL10331375

SCHEMBL10331375

CC(C)Oc1ccc(-c2ccc(C(C)(C)C)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ PTPN5 P54829 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ MCL1 Q07820 2/20 0.40
▸ WDR5 P61964 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP3A5 P20815 2/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ DGAT1 O75907 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35

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
SCHEMBL18848895 0.91 CYP1A2 (0.43) CYP1A2PTPN5NR1H4MCL1WDR5
SCHEMBL9910804 0.82 RXFP1 (0.54) MAPTTDO2RXFP1
SCHEMBL12173603 0.81 KIF11 (0.48) TDO2DGAT1
SCHEMBL14062459 0.79 KIF11 (0.52) TDO2DGAT1
SCHEMBL17404857 0.79 PTPN5 (0.56) PTPN5NR1H4MCL1PTGESMAPT
SCHEMBL24622568 0.79 PTPN5 (0.38) PTPN5TP53MAPTTDO2DGAT1
SCHEMBL14988627 0.78 MAP4K4 (0.46) CYP1A2MCL1WDR5MAP4K4TP53
SCHEMBL799946 0.77 NR1H4 (0.57) PTPN5NR1H4PTGESMAPTCYP3A4
SCHEMBL22079741 0.76 TSHR (0.52) MAPTCYP3A4TDO2DGAT1
SCHEMBL21851484 0.76 CACNA1H (0.43) CYP1A2MAPTTDO2RXFP1DGAT1

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-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 — — 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA CYP1A2 3333/4885PTPN5 585/4885NR1H4 550/4885

“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.

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