SCHEMBL6877472

SCHEMBL6877472

C=C(C(=O)OCC)c1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)ccc1OCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.48
RXRA P19793 11/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
HNF4A P41235 1/20 0.42
RARG P13631 5/20 0.42
RARB P10826 3/20 0.42
RARA P10276 2/20 0.42
PPARG P37231 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 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
SCHEMBL6876040 0.93 RXRA (0.45) PTPN11RXRARXRBRXRGHNF4A
SCHEMBL6870756 0.91 PTPN11 (0.52) PTPN11RXRARXRBRXRGHNF4A
SCHEMBL6878334 0.87 RARG (0.45) RXRARXRBRXRGHNF4ARARG
SCHEMBL6874227 0.86 RXRA (0.47) RXRARXRBRXRGHNF4ARARG
SCHEMBL6879665 0.84 RXRA (0.49) PTPN11RXRARXRBRXRGRARG
SCHEMBL7027870 0.80 PTPN11 (0.44) PTPN11RXRARXRBRXRGHNF4A
SCHEMBL6877473 0.80 RXRA (0.43) PTPN11RXRARXRBRXRGHNF4A
SCHEMBL6875753 0.78 RXRA (0.44) PTPN11RXRARXRBRXRGHNF4A
SCHEMBL6870757 0.77 RXRA (0.48) PTPN11RXRARXRBRXRGHNF4A
SCHEMBL6874354 0.76 RXRA (0.48) RXRARXRBRXRGHNF4ARARG

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-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-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 PTPN11 2889/4885RXRA 196/4885RXRB 238/4885
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 PTPN11 2241/4885RXRA 55/4885RXRB 91/4885

“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.