SCHEMBL25898455

SCHEMBL25898455

CC(CCc1ccc(O)cc1)(c1ccc(O)c(C2CCCCC2)c1)c1ccc(O)c(C2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.52
BACE1 P56817 1/20 0.52
HSP90AA1 P07900 1/20 0.40
CACNA1B Q00975 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.36
THRB P10828 1/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL4060197 0.81 NUDT1 (0.49) NUDT1BACE1HSP90AA1CACNA1BCYP1A2
SCHEMBL29458615 0.81 ESR1 (0.49) NUDT1BACE1HSP90AA1CACNA1BCYP1A2
SCHEMBL13609943 0.81 NUDT1 (0.46) NUDT1BACE1HSP90AA1CACNA1BMEN1
SCHEMBL2340495 0.81 ESR1 (0.49) NUDT1BACE1HSP90AA1CACNA1BCYP1A2
SCHEMBL2913464 0.81 NUDT1 (0.44) NUDT1BACE1HSP90AA1CACNA1BCYP1A2
SCHEMBL10596142 0.80 CNR1 (0.56) NUDT1BACE1HSP90AA1CYP1A2CNR1
SCHEMBL20717757 0.79 ESR1 (0.50) NUDT1BACE1HSP90AA1CACNA1BCYP1A2
SCHEMBL3680857 0.78 ESR1 (0.54) MEN1KMT2AESR1ESR2ALDH1A1
SCHEMBL30994345 0.78 ESR1 (0.54) MEN1KMT2AESR1ESR2ALDH1A1
SCHEMBL29499839 0.78 ESR1 (0.54) MEN1KMT2AESR1ESR2ALDH1A1

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 NUDT1 2727/4885BACE1 4376/4885HSP90AA1 498/4885

“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.