SCHEMBL6907114

SCHEMBL6907114

COC(=O)c1ccc(Oc2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.76
CYP3A4 P08684 3/20 0.55
CYP26A1 O43174 3/20 0.51
RXRB P28702 9/20 0.50
RXRG P48443 9/20 0.50
RARA P10276 2/20 0.47
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL6910205 0.86 RXRA (1.00) RXRACYP26A1RXRBRXRGRARA
SCHEMBL8014653 0.85 RXRA (0.55) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8016720 0.84 CYP3A4 (0.56) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8016426 0.83 RXRA (0.53) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8005377 0.82 RXRA (0.74) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL3982018 0.81 RXRA (0.72) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL2594347 0.78 RXRA (0.73) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL31758293 0.78 RXRA (0.73) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8014342 0.78 RXRA (0.50) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8165775 0.78 RXRA (0.53) RXRARXRBRXRG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162354-A1 Treatment of disease states which result from neoplastic cell proliferation using PPAR-gamma activators and compositions useful therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2004-08-19 US disclosed
US-6646008-B1 Administering peroxisome proliferator activated receptor(PPAR) and retinoid acid receptor agonists such as 6-(1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl) nicotinic acid, for prophylaxis of tumors THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2003-11-11 US disclosed
US-6586455-B1 Administering retinoid and peroxisome proliferator-activated receptors to improve cell proliferation and differentiation of adipocytes; prophylaxis of cancer THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2003-07-01 US disclosed
US-6162815-A RXR-agonist polycyclic aromatic compounds, pharmaceutical/cosmetic compositions comprising said compound and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-6156788-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-05 US disclosed
US-6015569-A PYRIDINE OR PYRROLE DERIVATIVES OF POLYCYCLIC AROMATICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-01-18 US disclosed
US-5766610-A USEFUL FOR TREATMENT OF MAMMALIAN SKIN AND HAIR, RHEUMATISM, RESIPIRATORY SYSTEM DISORDER, CARDIOVASCULAR AND VISION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-06-16 US disclosed
EP-0679630-B1 Bicyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1998-05-06 EP disclosed
EP-0679630-A1 Bicyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1995-11-02 EP 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-20040162354-A1 Treatment of disease states which result from neoplastic cell proliferation using PPAR-gamma activators and compositions useful therefor PPARA, PPARG, PPARD RXRA 6/4885CYP3A4 1209/4885CYP26A1 142/4885

“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.