SCHEMBL6907992

SCHEMBL6907992

COC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CO2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.76
RXRB P28702 8/20 0.54
RXRG P48443 7/20 0.54
CYP3A4 P08684 3/20 0.48
CYP26A1 O43174 4/20 0.45
RARB P10826 7/20 0.43
RARG P13631 7/20 0.43
RARA P10276 6/20 0.43
PPARG P37231 2/20 0.42
CYP26B1 Q9NR63 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 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
SCHEMBL6889399 0.86 RXRA (1.00) RXRARXRBRXRGCYP26A1RARB
SCHEMBL6907698 0.84 RXRA (0.74) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL7509945 0.81 RXRA (0.55) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL5538716 0.80 RXRA (0.71) RXRARXRBRXRGCYP26A1RARB
SCHEMBL7454847 0.79 RXRA (0.56) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL14068142 0.77 RXRA (0.67) RXRARXRBRXRGCYP26A1RARB
SCHEMBL3982018 0.77 RXRA (0.72) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL17049086 0.76 CYP3A4 (0.51) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8093205 0.75 RARB (0.50) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6733785 0.75 RXRA (0.46) RXRARXRBRXRGCYP3A4CYP26A1

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 3 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

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 6/4885RXRB 5/4885RXRG 4/4885

“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.