SCHEMBL3944401

SCHEMBL3944401

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.53
KMT2A Q03164 1/20 0.47
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
CYP1A1 P04798 4/20 0.41
CYP1B1 Q16678 4/20 0.41
MAOB P27338 4/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
SRD5A2 P31213 1/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 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
SCHEMBL3944403 1.00 TRPV1 (0.53) TRPV1KMT2ANR4A1NR4A2NR4A3
SCHEMBL3944397 1.00 TRPV1 (0.53) TRPV1KMT2ANR4A1NR4A2NR4A3
SCHEMBL3943340 0.93 KMT2A (0.52) TRPV1KMT2AEPHX2NR1H4FAAH
SCHEMBL3943332 0.93 KMT2A (0.52) TRPV1KMT2AEPHX2NR1H4FAAH
SCHEMBL3940774 0.90 NR4A1 (0.43) TRPV1KMT2ANR4A1NR4A2NR4A3
SCHEMBL3940772 0.90 NR4A1 (0.43) TRPV1KMT2ANR4A1NR4A2NR4A3
SCHEMBL3940767 0.90 NR4A1 (0.43) TRPV1KMT2ANR4A1NR4A2NR4A3
SCHEMBL3941401 0.89 KMT2A (0.49) TRPV1KMT2AEPHX2FAAHALDH1A1
SCHEMBL3941404 0.89 KMT2A (0.49) TRPV1KMT2AEPHX2FAAHALDH1A1
SCHEMBL3939191 0.89 NR4A1 (0.51) NR4A1NR4A2NR4A3CYP1A1CYP1B1

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 TRPV1 2741/4885KMT2A 772/4885NR4A1 93/4885

“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.