SCHEMBL5846397

SCHEMBL5846397

CCOC(=O)c1ccc(-c2cccc(O)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B1 P14061 4/20 0.53
HSD17B2 P37059 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAOA P21397 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGDS O60760 1/20 0.50

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
SCHEMBL29677944 0.90 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3900684 0.89 NPC1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL5556244 0.88 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL4146997 0.86 TDP1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2771575 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL24106782 0.83 MEN1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL903983 0.83 ESR1 (0.89) CA12CA1CA2CA7CA9
SCHEMBL570961 0.83 MEN1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL7759940 0.83 TRPV1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2349407 0.83 BCL2 (0.59) LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148245-B2 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-12-12 US disclosed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
US-20040030141-A1 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them GALDERMA RESEARCH & DEVELOPMENT 2004-02-12 US disclosed
US-6649612-B1 Combating skin ageing and keratinization GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-11-18 US disclosed
US-6316009-B1 FOR THERAPY OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH A KERATINIZATION DISORDER, AND FOR COMBATING AGEING OF THE SKIN GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-11-13 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-20040030141-A1 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them AHR, TYR, CYP1A1 CA12 4476/4885CA1 4806/4885CA2 2957/4885

“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.