SCHEMBL3943340

SCHEMBL3943340

O=C(O)C=CC=C(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
EPHX2 P34913 3/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
TSHR P16473 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
SCHEMBL3943332 1.00 KMT2A (0.52) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3941404 0.96 KMT2A (0.49) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3941401 0.96 KMT2A (0.49) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3944401 0.93 TRPV1 (0.53) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3944397 0.93 TRPV1 (0.53) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3942074 0.93 KMT2A (0.47) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3944403 0.93 TRPV1 (0.53) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3942080 0.93 KMT2A (0.47) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3942084 0.93 KMT2A (0.47) KMT2AEPHX2FAAHALDH1A1GAA
SCHEMBL3944625 0.89 L3MBTL1 (0.46) KMT2AALDH1A1POLBNPC1RAB9A

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 KMT2A 772/4885EPHX2 3390/4885FAAH 3478/4885

“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.