SCHEMBL6339586

SCHEMBL6339586

CCOC(=O)c1ccc(C#CCc2cccc3c2SCCC3(C)C)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.60
RARB P10826 6/20 0.60
CYP3A4 P08684 3/20 0.60
RARG P13631 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP26A1 O43174 1/20 0.44
NPC1 O15118 5/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB1 P08183 1/20 0.33
HTT P42858 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7471196 0.89 CYP3A4 (0.56) RARARARBCYP3A4RARGKMT2A
SCHEMBL6689597 0.78 RARA (0.75) RARARARBCYP3A4RARGKMT2A
SCHEMBL6341156 0.77 RARA (0.42) RARARARBCYP3A4RARGKMT2A
SCHEMBL6667758 0.76 RARA (0.71) RARARARBCYP3A4RARGKMT2A
SCHEMBL6340315 0.76 RARB (0.46) RARARARBCYP3A4RARGCYP26A1
SCHEMBL6339588 0.76 KMT2A (0.42) RARARARBCYP3A4RARGKMT2A
Tazarotene SCHEMBL29512592 0.75 RARA (1.00) RARARARBCYP3A4RARGKMT2A
Tazarotene SCHEMBL5747908 0.75 RARA (1.00) RARARARBCYP3A4RARGKMT2A
Tazarotene SCHEMBL3134 0.75 RARA (1.00) RARARARBCYP3A4RARGKMT2A
Tazarotene SCHEMBL29397163 0.75 RARA (1.00) RARARARBCYP3A4RARGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT 2003-11-20 US claimed
EP-0977749-B1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-03-13 EP claimed
US-6849658-B2 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT (FR) 2005-02-01 US disclosed
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT 2003-11-20 US disclosed
US-6346546-B1 COMPOUNDS HAVING MARKED ACTIVITY IN FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION; TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-12 US disclosed
US-6103762-A A BIAROMATIC COMPOUNDS IN WHICH THE AROMATIC NUCLEI ARE CONNECTED BY A PROPYNYLENE OR ALLENYLENE DIVALENT RADICAL, USEFUL AS HUMAN OR VETERINARY MEDICINE OR USED IN COSMETICS OR KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2000-08-15 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-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them AR, SRR, MC3R RARA 47/4885RARB 120/4885CYP3A4 183/4885

“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.