SCHEMBL18213792

SCHEMBL18213792

CC(C)(C)OCc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.57
ALDH1A1 P00352 5/20 0.56
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
PPARA Q07869 3/20 0.53
ELANE P08246 3/20 0.50
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SRD5A2 P31213 2/20 0.49
PPARD Q03181 2/20 0.47

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
SCHEMBL3873725 0.84 RXRA (0.57) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL11526962 0.83 ALDH1A1 (0.53) PPARGALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10941278 0.82 PPARG (0.53) PPARGALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL11472200 0.80 ATM (0.66) PPARGALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL23519218 0.80 PPARG (0.51) PPARGALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL4711414 0.80 ALDH1A1 (0.60) PPARGALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL19604352 0.79 MAPT (0.47) PPARGALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL726130 0.79 TSHR (0.52) ALDH1A1L3MBTL1MAPTCYP2C19
SCHEMBL5016440 0.79 TSHR (0.52) ALDH1A1L3MBTL1MAPTCYP2C19
SCHEMBL15478550 0.79 TRPV1 (0.41) PPARGALDH1A1SMN1; SMN2RAB9AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA PPARG 40/4885ALDH1A1 1062/4885HTT 4414/4885

“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.