SCHEMBL5847717

SCHEMBL5847717

CC1(C)CCC(C)(C)c2cc(-c3cc([N+](=O)[O-])ccc3-c3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.59
RARB P10826 8/20 0.57
RARG P13631 7/20 0.57
RXRA P19793 3/20 0.57
RARA P10276 8/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
ELANE P08246 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTPRC P08575 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
S100A4 P26447 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PDE4D Q08499 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CHRM1 P11229 1/20 0.40

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
SCHEMBL7794229 0.82 RARB (0.75) RARBRARGRXRARARARXRB
SCHEMBL5846459 0.82 RARB (0.60) RARBRARGRXRARARARAB9A
SCHEMBL29793943 0.81 PTGS2 (0.60) PTGS2POLBRAB9AELANEPTGDR2
SCHEMBL17870628 0.81 PTGS2 (0.60) PTGS2POLBRAB9AELANEPTGDR2
SCHEMBL10448853 0.80 PTGS2 (0.74) PTGS2POLBRAB9AELANEPTGDR2
SCHEMBL28207049 0.80 PTGS2 (0.73) PTGS2POLBRAB9APTGDR2PTPRC
SCHEMBL448167 0.79 TSHR (0.47) RARBRARGRXRARARARAB9A
SCHEMBL24794269 0.79 RARB (0.59) RARBRARGRXRARARA
SCHEMBL5846529 0.79 RARB (0.59) RARBRARGRXRARARARXRB
SCHEMBL25843756 0.79 RARB (0.56) RARBRARGRXRARARA

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-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
EP-0952974-B1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2001-11-21 EP 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
EP-0952974-A1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 EP disclosed
WO-1999010308-A1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 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-20040030141-A1 Biphenyl derivatives substituted with an aromatic or heteroaromatic radical, and pharmaceutical and cosmetic compositions containing them AHR, TYR, CYP1A1 PTGS2 2762/4885RARB 26/4885RARG 39/4885

“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.