SCHEMBL6340700

SCHEMBL6340700

CCNC(=O)c1ccc(C#CCc2cccc3c2SCCC3(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
RARA P10276 5/20 0.35
RARB P10826 5/20 0.35
RARG P13631 5/20 0.35
CYP3A4 P08684 3/20 0.35
KMT2A Q03164 1/20 0.35
SOST Q9BQB4 1/20 0.35
CYP26A1 O43174 2/20 0.34
CRABP2 P29373 1/20 0.33
HTT P42858 1/20 0.33
PDK2 Q15119 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.32
GRM5 P41594 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL6340315 0.87 RARB (0.46) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6341156 0.86 RARA (0.42) RARARARBRARGCYP3A4KMT2A
SCHEMBL6340966 0.86 RARB (0.36) RARARARBRARGCYP3A4KMT2A
SCHEMBL6340122 0.85 BACE1 (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL6342474 0.82 RARA (0.35) RARARARBRARGCYP3A4KMT2A
SCHEMBL6339231 0.79 RARA (0.33) RARARARBRARG
SCHEMBL6341267 0.77 RARB (0.42) RARARARBRARGCYP3A4KMT2A
SCHEMBL6338642 0.76 RARA (0.36) RARARARBRARGCYP3A4KMT2A
SCHEMBL7471196 0.74 CYP3A4 (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL7752015 0.74 CYP26A1 (0.51) ACACBRARARARBRARGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849658-B2 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT (FR) 2005-02-01 US claimed
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
EP-0977749-B1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-03-13 EP 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
EP-0977749-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2000-02-09 EP disclosed
WO-1998056783-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1998-12-17 WO 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 ACACB 884/4885RARA 47/4885RARB 120/4885

“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.