SCHEMBL5846459

SCHEMBL5846459

CC1(C)CCC(C)(C)c2cc(-c3cc([N+](=O)[O-])ccc3O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.60
RARG P13631 9/20 0.60
RARA P10276 9/20 0.60
RXRA P19793 4/20 0.47
TDP1 Q9NUW8 1/20 0.44
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR35 Q9HC97 1/20 0.43
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL5847717 0.82 PTGS2 (0.59) RARBRARGRARARXRAHPGD
SCHEMBL448167 0.81 TSHR (0.47) RARBRARGRARARXRATDP1
SCHEMBL9701536 0.77 GPR35 (0.58) TDP1THRBMAPTALDH1A1TP53
SCHEMBL13283895 0.76 RARG (0.71) RARBRARGRARARXRATP53
SCHEMBL7793710 0.75 RARB (0.62) RARBRARGRARARXRAALDH1A1
SCHEMBL25843756 0.75 RARB (0.56) RARBRARGRARARXRATDP1
SCHEMBL12168230 0.75 RARB (0.69) RARBRARGRARARXRAALDH1A1
SCHEMBL3677978 0.75 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL8346147 0.74 RARB (0.69) RARBRARGRARARXRATP53
SCHEMBL5846147 0.74 RARG (0.44) RARBRARGRARARXRARXRB

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 RARB 26/4885RARG 39/4885RARA 24/4885

“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.