SCHEMBL6870804

SCHEMBL6870804

CCCOc1ccc2c(c1B(O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
RXRA P19793 12/20 0.40
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
PDE7A Q13946 1/20 0.34
PDE7B Q9NP56 1/20 0.34
HNF4A P41235 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6879438 0.91 RXRA (0.40) TP53CYP1A2RXRARARARARB
SCHEMBL6874295 0.83 TP53 (0.41) TP53CYP1A2RARARARBRARG
SCHEMBL6874731 0.81 TP53 (0.42) TP53CYP1A2RXRARARARARB
SCHEMBL6472243 0.75 RXRA (0.40) TP53CYP1A2RXRARARARARB
SCHEMBL6477145 0.74 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL3785252 0.73 MCHR1 (0.44) TP53CYP1A2KDM4EMEN1USP2
SCHEMBL3316374 0.67 L3MBTL1 (0.44) CYP1A2KDM4ECNR1CNR2
SCHEMBL29952625 0.67 L3MBTL1 (0.44) CYP1A2KDM4ECNR1CNR2
SCHEMBL14015921 0.67 RXRA (0.38) TP53RXRARARARARBRARG
SCHEMBL6472663 0.67 RXRA (0.40) TP53CYP1A2RXRARARARARB

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-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US disclosed
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics BERNARDON JEAN-MICHEL 2003-07-17 US disclosed
US-20030060491-A1 Bicyclic aromatic compounds BERNARDON JEAN-MICHEL (FR) 2003-03-27 US disclosed
US-6515021-B1 Bicyclic aromatic compounds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2003-02-04 US disclosed
US-6147255-A TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH KERATINIZATION DISORDER WHICH HAS EFFECT ON DIFFERENTIATION AND ON PROLIFERATION CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-11-14 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 (2 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-20030060491-A1 Bicyclic aromatic compounds MITF, TYR, PAH TP53 1645/4885CYP1A2 27/4885RXRA 196/4885
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics MITF, TYR, PAH TP53 2036/4885CYP1A2 42/4885RXRA 55/4885

“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.