SCHEMBL15701491

SCHEMBL15701491

CC(=CC(=O)Nc1ccc(C)cc1)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.87
▸ RBP4 P02753 7/20 0.87
▸ MAPT P10636 6/20 0.87
▸ HIF1A Q16665 4/20 0.87
▸ CYP3A4 P08684 4/20 0.87
▸ HSD17B10 Q99714 3/20 0.87
▸ MAPK1 P28482 3/20 0.87
▸ BLM P54132 3/20 0.87
▸ LMNA P02545 3/20 0.87
▸ KDM4E B2RXH2 2/20 0.87
▸ MEN1 O00255 2/20 0.87
▸ GMNN O75496 2/20 0.87
▸ ALOX15 P16050 2/20 0.87
▸ NFKB1 P19838 2/20 0.87
▸ MTOR P42345 2/20 0.87
▸ PMP22 Q01453 2/20 0.87
▸ KMT2A Q03164 2/20 0.87
▸ SMN1; SMN2 Q16637 2/20 0.87
▸ CYP2C9 P11712 2/20 0.87
▸ CYP2C19 P33261 2/20 0.87

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
SCHEMBL12388931 1.00 ALDH1A1 (0.87) ALDH1A1RBP4MAPTHIF1ACYP3A4
SCHEMBL3850303 0.94 ALDH1A1 (0.87) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL11704 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL11703 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL15703189 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL9838209 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL4874840 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL10629371 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL19121 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4
Fenretinide SCHEMBL13402304 0.93 RBP4 (1.00) ALDH1A1RBP4MAPTHIF1ACYP3A4

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-20140134188-A1 Methods for P2RY5 Mediated Regulation of Hair Growth and Mutants Thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-05-15 — — 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-20140134188-A1 Methods for P2RY5 Mediated Regulation of Hair Growth and Mutants Thereof P2RX5, P2RX2, P2RX3 ALDH1A1 2421/4885RBP4 2178/4885MAPT 4793/4885

“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.

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