SCHEMBL6339588

SCHEMBL6339588

CCOC(=O)c1ccc(C#CCc2cccc3c2OCCC3(SC)SC)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
RAB9A P51151 5/20 0.32
NPC1 O15118 3/20 0.32
OGA O60502 2/20 0.32
MAPT P10636 4/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MGAM O43451 1/20 0.31
AMY1A P0DUB6 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL7471200 0.89 CYP26A1 (0.36) CYP3A4
SCHEMBL6341158 0.78 RARB (0.35) CYP3A4RARARARBRARGRAB9A
SCHEMBL1078963 0.77 CYP3A4 (0.60) KMT2ACYP3A4RARARARBRARG
SCHEMBL6340318 0.76 RARB (0.37) CYP3A4RARARARBRARG
SCHEMBL6339586 0.76 RARA (0.60) KMT2ACYP3A4RARARARBRARG
SCHEMBL1485835 0.75 KMT2A (0.47) KMT2ACYP3A4RARARARBRARG
SCHEMBL6340699 0.74 ACACB (0.35) CYP3A4ALDH1A1L3MBTL1
SCHEMBL6342476 0.72
SCHEMBL6339233 0.70
SCHEMBL6340125 0.70 DEGS1 (0.34) KMT2ACYP3A4RAB9ANPC1MAPT

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 KMT2A 3355/4885CYP3A4 183/4885RARA 47/4885

“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.