SCHEMBL4088042

SCHEMBL4088042

O=C(O)/C=C/C=C(\c1ccc(C(F)(F)F)cc1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
KAT6A Q92794 2/20 0.41
MAOB P27338 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPK14 Q16539 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
HSD11B1 P28845 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
NR4A2 P43354 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MGLL Q99685 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4088046 1.00 ESR1 (0.42) ESR1TRPV1KAT6AMAOBHDAC8
SCHEMBL4088036 1.00 ESR1 (0.42) ESR1TRPV1KAT6AMAOBHDAC8
SCHEMBL3942285 0.88 CYP1A1 (0.48) MAOBCYP1A1CYP1B1KDRNPC1
SCHEMBL3942282 0.88 CYP1A1 (0.48) MAOBCYP1A1CYP1B1KDRNPC1
SCHEMBL3942276 0.88 CYP1A1 (0.48) MAOBCYP1A1CYP1B1KDRNPC1
SCHEMBL3944397 0.88 TRPV1 (0.53) TRPV1MAOBNR4A2CYP1A1CYP1B1
SCHEMBL3944403 0.88 TRPV1 (0.53) TRPV1MAOBNR4A2CYP1A1CYP1B1
SCHEMBL3944401 0.88 TRPV1 (0.53) TRPV1MAOBNR4A2CYP1A1CYP1B1
SCHEMBL3939647 0.86 MEN1 (0.44) KAT6AMAOBMRGPRX4NR4A2CYP1A1
SCHEMBL3939639 0.86 MEN1 (0.44) KAT6AMAOBMRGPRX4NR4A2CYP1A1

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 1 patent. 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

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 ESR1 2873/4885TRPV1 2741/4885KAT6A 1471/4885

“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.