SCHEMBL7548002

SCHEMBL7548002

CCc1cc(CCc2ccc(OC(C)=O)cc2)cc2c1OC(C)(C)CC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.42
CYP26B1 Q9NR63 4/20 0.42
NR3C2 P08235 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GSTP1 P09211 1/20 0.36
AKT1 P31749 1/20 0.35
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7548008 0.84 CYP26A1 (0.59) CYP26A1CYP26B1ALDH1A1HSD17B10RAB9A
SCHEMBL5737184 0.81 CYP26A1 (0.38) CYP26A1CYP26B1MEN1KMT2AGSTP1
SCHEMBL14194533 0.70 CYP26A1 (0.40) CYP26A1CYP26B1LMNAMAPTKDM4E
SCHEMBL718523 0.70 MAPT (0.56) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL9081470 0.70 LMNA (0.61) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL5736806 0.69 CYP26A1 (0.40) CYP26A1CYP26B1
SCHEMBL5735116 0.68 CYP26A1 (0.44) CYP26A1CYP26B1LMNAMAPTSMN1; SMN2
SCHEMBL5736408 0.68 CYP26A1 (0.45) CYP26A1CYP26B1MEN1KMT2ALMNA
SCHEMBL5737183 0.68 CYP26A1 (0.56) CYP26A1CYP26B1RAB9ACYP3A4
SCHEMBL5738447 0.68 RARB (0.42) CYP26A1MEN1KMT2AGSTP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-12-19 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-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG CYP26A1 4/4885CYP26B1 5/4885NR3C2 215/4885

“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.