SCHEMBL6338802

SCHEMBL6338802

CCOC(=O)c1ccc(C#CC(OC)c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
RAB9A P51151 2/20 0.34
MAOA P21397 1/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6340422 0.89 TSHR (0.36) HSD17B2CA12CA1CA2CA7
SCHEMBL6338177 0.87 RARG (0.47) CYP1A2CYP3A4MAPTCYP2C9TSHR
SCHEMBL6340271 0.80 EGFR (0.36) CA12CA1CA2CA7CA9
SCHEMBL6341538 0.79 CYP1A2 (0.42) HSD17B2CA12CA1CA2CA7
SCHEMBL6340093 0.76 NPC1 (0.40) LMNACYP1A2RAB9AMAPTGAA
SCHEMBL6338786 0.75 RARG (0.48) CYP3A4MAPTMAPK1RARBRARG
SCHEMBL9425628 0.72 RARB (0.61) CA12CA1CA2CA7CA9
SCHEMBL7105972 0.71 PTPN1 (0.38) LMNACYP1A2RAB9AMAPTGAA
SCHEMBL6348994 0.70 CA12 (0.41) HSD17B2CA12CA1CA2CA7
SCHEMBL6340432 0.69 PTGS2 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 7 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-6346546-B1 COMPOUNDS HAVING MARKED ACTIVITY IN FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION; TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-12 US 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 HSD17B2 386/4885CA12 1847/4885CA1 3547/4885

“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.