SCHEMBL3673470

SCHEMBL3673470

CCCCCCCCCC(C)(C)c1cc(-c2ccc3cc(C(=O)OC)ccc3c2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.54
RARB P10826 1/20 0.54
RARG P13631 1/20 0.54
CNR2 P34972 6/20 0.48
MGLL Q99685 4/20 0.47
CNR1 P21554 5/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACAT1 P24752 1/20 0.42
SOAT1 P35610 1/20 0.42
SMPD1 P17405 3/20 0.40
PLAU P00749 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL981508 0.90 RARB (0.67) RARARARBRARGCNR2CNR1
SCHEMBL3678749 0.81 RARB (0.78) RARARARBRARGCYP19A1CYP11B1
SCHEMBL24252037 0.79 MAPT (0.50) CNR2MGLLKDM4ECYP3A4MAPT
SCHEMBL9453202 0.79 SMN1; SMN2 (0.53) CNR2MGLLKDM4ETP53MAPT
SCHEMBL8090921 0.78 PLA2G4B (0.51) RARARARBRARGCNR2CNR1
SCHEMBL9132226 0.78 PLA2G4B (0.51) RARARARBRARGCNR2CNR1
SCHEMBL9492347 0.77 PLA2G4B (0.47) RARARARBRARGCNR2MGLL
SCHEMBL9485696 0.77 CNR2 (0.48) CNR2MGLLCNR1KDM4ETP53
SCHEMBL9485704 0.77 MAPK1 (0.50) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL9130548 0.77 CNR2 (0.46) CNR2MGLLCNR1KDM4ETP53

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-20100168241-A1 TREATMENT OF ACNE DISEASE STATES, NOTABLY ACNE VULGARIS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 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-20100168241-A1 TREATMENT OF ACNE DISEASE STATES, NOTABLY ACNE VULGARIS RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885

“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.