SCHEMBL8733308

SCHEMBL8733308

N#C/C=C/c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
CYP2D6 P10635 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL8733312 1.00 KDM4E (0.46) KDM4ECYP2D6MAPTALDH1A1TDP1
SCHEMBL8915382 0.83 KDM4E (0.45) KDM4ECYP2D6MAPTALDH1A1TP53
SCHEMBL8915385 0.83 KDM4E (0.45) KDM4ECYP2D6MAPTALDH1A1TP53
SCHEMBL13790221 0.82 CYP2D6 (0.50) KDM4ECYP2D6MAPTKMT2APIM1
SCHEMBL15362108 0.81 CYP2D6 (0.46) KDM4ECYP2D6MAPTALDH1A1TDP1
SCHEMBL15362109 0.81 CYP2D6 (0.46) KDM4ECYP2D6MAPTALDH1A1TDP1
SCHEMBL3464539 0.80 TRPA1 (0.46) CYP2D6MAPTALDH1A1TDP1KMT2A
SCHEMBL3464533 0.80 TRPA1 (0.46) CYP2D6MAPTALDH1A1TDP1KMT2A
SCHEMBL14813894 0.80 ENPP2 (0.47) PIM1PIM2GPR3FDPSMAOB
SCHEMBL14814206 0.80 ENPP2 (0.47) PIM1PIM2GPR3FDPSMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672651-B1 Process for the preparation of 4-fluoroalkoxycinnamonitriles CLARIANT GMBH (DE) 1998-12-09 EP claimed
US-5569776-A Process for the preparation of 4-fluoroalkoxycinnamonitriles HOECHET AG (DE) 1996-10-29 US claimed
US-20230052528-A1 TASPASE1 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-02-16 US disclosed
WO-2021102359-A2 TASPASE1 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 WO disclosed
US-5569776-A Process for the preparation of 4-fluoroalkoxycinnamonitriles HOECHET AG (DE) 1996-10-29 US disclosed
EP-0174769-B1 ANTIFUNGAL AZOLE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-21 EP disclosed
US-4925863-A 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0174769-A1 Antifungal azole compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-03-19 EP 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-20230052528-A1 TASPASE1 INHIBITORS AND USES THEREOF RNASE1, TASP1, TPP1 KDM4E 3697/4885CYP2D6 4100/4885MAPT 4555/4885

“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.