SCHEMBL25909341

SCHEMBL25909341

CCc1ccc(-c2cccc(C(C)C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
PTGS2 P35354 1/20 0.50
PTPN5 P54829 3/20 0.48
BCL2 P10415 1/20 0.44
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PFKFB3 Q16875 1/20 0.40
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPT P10636 2/20 0.38
TAAR1 Q96RJ0 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MDM4 O15151 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL6908239 0.87 RXRA (0.49) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL9656296 0.86 PTGS2 (0.48) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL17809807 0.86 PTPN5 (0.51) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL13524587 0.85 RXRA (0.56) RXRARXRBRXRGPTPN5CYP2A6
SCHEMBL598181 0.84 RXRA (0.66) RXRARXRBRXRGPTPN5CTSS
SCHEMBL13524585 0.84 RXRA (0.58) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL5355878 0.82 RXRA (0.65) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL29727265 0.82 RXRA (0.65) RXRARXRBRXRGPTGS2PTPN5
SCHEMBL11326904 0.82 BCL2 (0.53) PTGS2BCL2CYP1A2CYP2A6TAAR1
Ethane SCHEMBL6908245 0.82 RXRA (0.63) RXRARXRBRXRGPTPN5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 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-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC RXRA 2013/4885RXRB 1550/4885RXRG 1124/4885

“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.