SCHEMBL7137604

SCHEMBL7137604

CCC(C)(C)OC1(c2ccc(C#Cc3ccc(C(=O)O)cc3)cc2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 17/20 0.50
RARG P13631 17/20 0.50
RARA P10276 13/20 0.50
CYP26A1 O43174 2/20 0.50
CYP3A4 P08684 2/20 0.50
CRABP2 P29373 1/20 0.50
RXRA P19793 2/20 0.39
CYP26B1 Q9NR63 1/20 0.39
RXRB P28702 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
SCHEMBL5735587 0.84 RARB (0.52) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5736750 0.79 RARB (0.54) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5736240 0.78 RARB (0.53) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5736646 0.76 RARB (0.41) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5735737 0.74 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7132529 0.74 RARB (0.48) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7970579 0.73 RARB (0.37) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5737550 0.72 FFAR1 (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5735777 0.71 RARA (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6426294 0.71 RARB (0.37) RARBRARGRARACYP26A1CYP3A4

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-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-04-24 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-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI CYP26B1, CYP21A2, ALDH1A2 RARB 14/4885RARG 15/4885RARA 11/4885

“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.