SCHEMBL6445988

SCHEMBL6445988

CCc1nc(C#Cc2ccc3c(c2)C(C)(C)CCO3)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.44
RARG P13631 12/20 0.44
RARA P10276 10/20 0.44
CYP3A4 P08684 3/20 0.42
CYP26A1 O43174 3/20 0.42
RXRA P19793 3/20 0.41
HNF4A P41235 2/20 0.41
CRABP2 P29373 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL9318560 0.86 RARB (0.56) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9526910 0.83 RARB (0.37) RARBRARGRARACYP3A4CYP26A1
SCHEMBL4300903 0.80 RARB (0.66) RARBRARGRARACYP3A4CYP26A1
SCHEMBL30061258 0.80 RARB (0.66) RARBRARGRARACYP3A4CYP26A1
SCHEMBL1320433 0.80 CYP3A4 (0.65) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9333999 0.78 RARB (0.56) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9334964 0.78 GABRP (0.37) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6037049 0.76 RARB (0.67) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6668166 0.76 CYP26A1 (0.46) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6664117 0.75 CYP26A1 (0.52) RARBRARGRARACYP3A4CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026951-A1 Methods of therapeutic treatment using retinoids with reduced drug interaction ALLERGAN, INC. (US) 2005-02-03 US disclosed
US-20050027003-A1 Methods of therapeutic treatment using retinoids with reduced side effects ALLERGAN, INC. (US) 2005-02-03 US disclosed
US-20050026957-A1 Methods of treating nodulocystic acne ALLERGAN, INC. (US) 2005-02-03 US disclosed
US-20050026949-A1 Methods of therapeutic treatment using amounts of retinoids without regard to body weight ALLERGAN, INC. (US) 2005-02-03 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 (4 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-20050026949-A1 Methods of therapeutic treatment using amounts of retinoids without regard to body weight RARG, RXRG, RARA RARB 4/4885RARG 1/4885RARA 3/4885
US-20050026951-A1 Methods of therapeutic treatment using retinoids with reduced drug interaction RXRA, RARA, RARB RARB 3/4885RARG 5/4885RARA 2/4885
US-20050026957-A1 Methods of treating nodulocystic acne RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885
US-20050027003-A1 Methods of therapeutic treatment using retinoids with reduced side effects RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885

“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.