SCHEMBL27313609

SCHEMBL27313609

Cc1cc(C)c2occ(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
CSNK2A2 P19784 5/20 0.37
CSNK2B P67870 5/20 0.37
CSNK2A1 P68400 5/20 0.37
NUDT1 P36639 1/20 0.35
KCNA3 P22001 4/20 0.35
MAOA P21397 1/20 0.35
HSD17B10 Q99714 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL27313611 0.80 ATM (0.35) CSNK2A2CSNK2BCSNK2A1NUDT1RAPGEF4
SCHEMBL16648836 0.77 CYP3A4 (0.39) KDM4EALDH1A1TSHRMAPK1KCNA3
SCHEMBL23241836 0.76 AR (0.35) KDM4ETSHRCSNK2A2CSNK2BCSNK2A1
SCHEMBL28569245 0.74 CSNK2A2 (0.37) ALDH1A1CSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL11538950 0.73 ALDH1A1 (0.37) KDM4EALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL11549214 0.73 PSMB5 (0.44) KDM4ECSNK2A2CSNK2BCSNK2A1NUDT1
SCHEMBL18493268 0.73 ALDH1A1 (0.33) KDM4EALDH1A1TSHRMAPK1KCNA3
SCHEMBL16707578 0.72 CSNK2A2 (0.48) CSNK2A2CSNK2BCSNK2A1NUDT1RAPGEF4
SCHEMBL11540145 0.72 ALOX15 (0.36) ALDH1A1TSHRMAPK1CSNK2A2CSNK2B
SCHEMBL11620092 0.70 MAOB (0.46) ALDH1A1TSHRCSNK2A2CSNK2BCSNK2A1

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-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES MEDSHINE DISCOVERY INC. (CN) 2024-06-27 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-20240208945-A1 6-CARBAMATE SUBSTITUTED HETEROARYL RING DERIVATIVES CYP3A7, UGT2B7, CYP51A1 KDM4E 902/4885ALDH1A1 1326/4885TSHR 2118/4885

“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.