Sugi Predict

Sugi Predict / Compounds / SCHEMBL6879438

SCHEMBL6879438

SCHEMBL6879438

CCCCCCCOc1ccc2c(c1B(O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 9/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ HNF4A P41235 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ S1PR5 Q9H228 2/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL6870804 0.91 TP53 (0.41) RXRAPPARGHNF4ATP53CYP1A2
SCHEMBL6874295 0.80 TP53 (0.41) PPARGTP53CYP1A2RARARARB
SCHEMBL6874731 0.78 TP53 (0.42) RXRATP53CYP1A2RARARARB
SCHEMBL15430193 0.76 LMNA (0.51) CYP1A2MEN1NR1I2LMNACHRM2
SCHEMBL29004709 0.74 NR5A1 (0.43) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL6472792 0.74 RXRA (0.48) RXRAPPARGNR1H3HNF4ARARA
SCHEMBL15430194 0.74 MEN1 (0.49) CYP1A2MEN1NR1I2LMNACHRM2
SCHEMBL3789201 0.69 CYP1A2 (0.52) TP53CYP1A2MEN1NR1I2LMNA
SCHEMBL6528114 0.68 RXRA (0.40) RXRAPPARGNR1H3HNF4AMEN1
SCHEMBL6874366 0.67 RXRA (0.49) RXRAPPARGNR1H3HNF4ARARA

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 RXRA 196/4885PPARG 20/4885NR1H3 632/4885
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 RXRA 55/4885PPARG 24/4885NR1H3 562/4885

“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.