SCHEMBL6907698

SCHEMBL6907698

COC(=O)c1ccc(C2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.74
RXRB P28702 9/20 0.53
RXRG P48443 9/20 0.53
RARA P10276 3/20 0.53
RARB P10826 3/20 0.53
RARG P13631 3/20 0.53
PPARG P37231 2/20 0.53
CYP3A4 P08684 3/20 0.51
CYP26A1 O43174 3/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL7509945 0.86 RXRA (0.55) RXRARXRBRXRGRARARARB
SCHEMBL726129 0.85 RXRA (1.00) RXRARXRBRXRGRARARARB
SCHEMBL8707418 0.84 RXRA (0.72) RXRARXRBRXRGRARARARB
SCHEMBL6907992 0.84 RXRA (0.76) RXRARXRBRXRGRARARARB
SCHEMBL12426978 0.82 RXRA (0.56) RXRARXRBRXRGRARARARB
SCHEMBL7454847 0.82 RXRA (0.56) RXRARXRBRXRGRARARARB
SCHEMBL6916464 0.82 RXRA (0.50) RXRARXRBRXRGRARARARB
SCHEMBL1073361 0.82 RXRA (0.77) RXRARXRBRXRGRARARARB
SCHEMBL3982018 0.80 RXRA (0.72) RXRARXRBRXRGRARARARB
SCHEMBL14816551 0.80 RXRA (0.57) RXRARXRBRXRGRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008740-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DJ Therapeutics LLC (US) 2026-01-08 US disclosed
US-12338214-B2 Bexarotene derivatives and their use in treating cancer DJ Therapeutics LLC (US) 2025-06-24 US disclosed
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DAWN SCIENTIFIC PHARMACEUTICALS, LLC 2021-11-25 US disclosed
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DAWN SCIENTIFIC PHARMACEUTICALS, LLC 2021-11-25 US disclosed
EP-3758694-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DJ Therapeutics LLC (US) 2021-01-06 EP disclosed
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 (4 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-12338214-B2 Bexarotene derivatives and their use in treating cancer C3AR1, CXCR3, CCR7 RXRA 9/4885RXRB 18/4885RXRG 8/4885
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER ENPP2, XPA, CCR8 RXRA 4/4885RXRB 13/4885RXRG 5/4885
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
US-20260008740-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER CXCR3, CCR6, CCR9 RXRA 63/4885RXRB 76/4885RXRG 69/4885

“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.