SCHEMBL3949656

SCHEMBL3949656

N#Cc1cccc(/C(=C\C=C\C(=O)O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.40
KMT2A Q03164 2/20 0.39
ESR1 P03372 2/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
P4HB P07237 3/20 0.37
GSK3B P49841 2/20 0.37
KAT6A Q92794 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
ALOX5 P09917 1/20 0.35
EPHX2 P34913 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL3949660 1.00 MRGPRX4 (0.41) MRGPRX4ABL1NTRK1KMT2AESR1
SCHEMBL3949664 1.00 MRGPRX4 (0.41) MRGPRX4ABL1NTRK1KMT2AESR1
SCHEMBL3946830 0.85 P4HB (0.41) MRGPRX4ESR1P4HBGSK3B
SCHEMBL3946828 0.85 P4HB (0.41) MRGPRX4ESR1P4HBGSK3B
SCHEMBL3946826 0.85 P4HB (0.41) MRGPRX4ESR1P4HBGSK3B
SCHEMBL3941401 0.85 KMT2A (0.49) MRGPRX4KMT2AESR1GAANPC1
SCHEMBL3941404 0.85 KMT2A (0.49) MRGPRX4KMT2AESR1GAANPC1
SCHEMBL3943332 0.83 KMT2A (0.52) MRGPRX4KMT2AGAANPC1RAB9A
SCHEMBL3943340 0.83 KMT2A (0.52) MRGPRX4KMT2AGAANPC1RAB9A
SCHEMBL4098610 0.82 RXFP1 (0.46) MRGPRX4P4HBGSK3BKAT6AALDH1A1

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 MRGPRX4 1357/4885ABL1 227/4885NTRK1 1003/4885

“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.