SCHEMBL25898409

SCHEMBL25898409

Cc1cc(CCC(C)(c2cc(C)c(O)c(CO)c2)c2cc(C)c(O)c(CO)c2)cc(CO)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.57
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
KLF10 Q13118 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 2/20 0.35
CASP6 P55212 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
VDR P11473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL25898410 0.97 SHBG (0.53) SHBGCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL25898408 0.90 SHBG (0.42) SHBGCYP2C9CYP2C19KLF10KDM4E
SCHEMBL25898412 0.85 SHBG (0.39) SHBGCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL3686389 0.85 PTGS1 (0.47) SHBGCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL25898427 0.84 CYP2C19 (0.51) SHBGCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL25898413 0.82 PRKCE (0.36) SHBGCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL25898430 0.81 CYP2C19 (0.55) SHBGCYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL28429147 0.76 SHBG (0.69) SHBGPTGS1PTGS2KDM4ECASP6
SCHEMBL9859289 0.76 CYP1A2 (0.49) CYP2C9CYP2C19CYP1A2CYP2D6KDM4E
SCHEMBL25898411 0.76 PRKCE (0.39) CYP2C9CYP2C19PTGS2HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234905-A1 NOVEL TRISPHENOL DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2023-07-27 US disclosed
US-20230234905-A1 NOVEL TRISPHENOL DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2023-07-27 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-20230234905-A1 NOVEL TRISPHENOL DERIVATIVE TTPA, CDK2AP2, CDKL2 SHBG 131/4885CYP2C9 1486/4885CYP2C19 1012/4885

“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.