SCHEMBL3943709

SCHEMBL3943709

O=C(O)C=CC=C(c1ccc(OC(F)(F)F)cc1)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
RAB9A P51151 2/20 0.39
EPHX2 P34913 2/20 0.39
GRIN2B Q13224 1/20 0.38
MASP2 O00187 1/20 0.38
F2 P00734 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL3943707 1.00 KMT2A (0.42) KMT2AMRGPRX4RAB9AEPHX2GRIN2B
SCHEMBL3943703 1.00 KMT2A (0.42) KMT2AMRGPRX4RAB9AEPHX2GRIN2B
SCHEMBL3943332 0.85 KMT2A (0.52) KMT2AMRGPRX4RAB9AEPHX2ALDH1A1
SCHEMBL3943340 0.85 KMT2A (0.52) KMT2AMRGPRX4RAB9AEPHX2ALDH1A1
SCHEMBL3939684 0.84 RAB9A (0.41) KMT2ARAB9AMASP2F2ALDH1A1
SCHEMBL3939680 0.84 RAB9A (0.41) KMT2ARAB9AMASP2F2ALDH1A1
SCHEMBL3939676 0.84 RAB9A (0.41) KMT2ARAB9AMASP2F2ALDH1A1
SCHEMBL3941404 0.83 KMT2A (0.49) KMT2AMRGPRX4RAB9AEPHX2GRIN2B
SCHEMBL3941401 0.83 KMT2A (0.49) KMT2AMRGPRX4RAB9AEPHX2GRIN2B
SCHEMBL3941949 0.80 RAB9A (0.50) KMT2ARAB9AMASP2F2TDP1

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 772/4885MRGPRX4 1357/4885RAB9A 1128/4885

“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.