SCHEMBL25898433

SCHEMBL25898433

CN(C)Cc1cc(CCC(C)(c2cc(CN(C)C)c(O)c(C3CCCCC3)c2)c2cc(CN(C)C)c(O)c(C3CCCCC3)c2)cc(C2CCCCC2)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.46
TSHR P16473 4/20 0.46
CYP2C19 P33261 6/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 6/20 0.38
CYP2C9 P11712 4/20 0.38
HSD17B10 Q99714 3/20 0.38
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
GLA P06280 1/20 0.33
ALOX12 P18054 1/20 0.33
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL25898431 0.98 CYP2D6 (0.49) CYP2D6TSHRCYP2C19ALOX15MAPK1
SCHEMBL25898417 0.87 NUDT1 (0.36) CYP2D6TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL15803968 0.85 NUDT1 (0.42) CYP2D6TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL25898416 0.84 NUDT1 (0.34) CYP2D6TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL25898419 0.84 CYP2D6 (0.34) CYP2D6TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL25898426 0.82 CYP2C19 (0.62) CYP2D6TSHRCYP2C19ALOX15MAPK1
SCHEMBL25898418 0.81 CYP2D6 (0.34) CYP2D6TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL25898430 0.77 CYP2C19 (0.55) CYP2D6TSHRCYP2C19ALOX15MAPK1
SCHEMBL25898427 0.77 CYP2C19 (0.51) CYP2D6TSHRCYP2C19ALOX15MAPK1
SCHEMBL11244148 0.73 CNR1 (0.45) CYP2D6TSHRCYP2C19CYP1A2CYP2C9

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 CYP2D6 1018/4885TSHR 4171/4885CYP2C19 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.