SCHEMBL25898418

SCHEMBL25898418

COCc1cc(CCC(C)(c2cc(COC)c(O)c(C3CCCCC3)c2)c2cc(COC)c(O)c(C3CCCCC3)c2)cc(COC)c1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 2/20 0.32
NUDT1 P36639 1/20 0.32
BACE1 P56817 1/20 0.32
CNR1 P21554 1/20 0.32
HTR2A P28223 2/20 0.32
HSD17B10 Q99714 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL25898419 0.98 CYP2D6 (0.34) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL25898416 0.87 NUDT1 (0.34) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL25898411 0.85 PRKCE (0.39) CYP2C19CYP2C9TSHRHSD17B10
SCHEMBL25898417 0.84 NUDT1 (0.36) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL25898431 0.84 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL15803968 0.82 NUDT1 (0.42) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL25898433 0.81 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL25898413 0.81 PRKCE (0.36) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL19600589 0.80 NUDT1 (0.39) NUDT1BACE1CNR1HTR2APTGDR2
SCHEMBL16850508 0.80 NUDT1 (0.39) NUDT1BACE1CNR1HTR2AHSD17B10

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 1018/4885CYP1A2 243/4885CYP2C19 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.