SCHEMBL5845489

SCHEMBL5845489

CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)OCc5ccccc5)cc4)ccc3-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RARG P13631 17/20 0.50
▸ RARB P10826 13/20 0.50
▸ RXRA P19793 2/20 0.50
▸ RARA P10276 12/20 0.48
▸ PDK2 Q15119 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7784235 0.86 RARB (0.61) RARGRARBRXRARARA
SCHEMBL5845582 0.81 RARB (0.69) RARGRARBRXRARARANPC1
SCHEMBL497952 0.80 RARG (0.56) RARGRARBRXRARARAPDK2
SCHEMBL5846367 0.79 RARG (0.52) RARGRARBRXRARARAPDK2
SCHEMBL5846075 0.78 RARB (0.60) RARGRARBRXRARARAPDK2
SCHEMBL21544960 0.78 KMT2A (0.61) NPC1ALDH1A1LMNAMAPTRAB9A
SCHEMBL5846356 0.77 RARG (0.61) RARGRARBRXRARARA
SCHEMBL5846360 0.77 RARB (0.65) RARGRARBRXRARARA
SCHEMBL5845951 0.77 RARG (0.56) RARGRARBRXRARARAPDK2
SCHEMBL5845460 0.76 RARG (0.57) RARGRARBRXRARARA

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 4 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-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 RARG 39/4885RARB 26/4885RXRA 19/4885

“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.

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