SCHEMBL3946995

SCHEMBL3946995

O=C(O)/C=C/C=C(\c1ccc(OC2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
TEAD1 P28347 1/20 0.44
ADRB2 P07550 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PARP10 Q53GL7 1/20 0.38
APP P05067 1/20 0.37
GPER1 Q99527 1/20 0.37
LIPE Q05469 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
PDE9A O76083 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAOB P27338 1/20 0.35
LIPG Q9Y5X9 2/20 0.35

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
SCHEMBL3946996 1.00 EPHX2 (0.44) EPHX2TEAD1ADRB2HRH3PARP10
SCHEMBL3946999 1.00 EPHX2 (0.44) EPHX2TEAD1ADRB2HRH3PARP10
SCHEMBL3948188 0.92 EPHX2 (0.51) EPHX2TEAD1ADRB2PARP10LIPE
SCHEMBL3948185 0.92 EPHX2 (0.51) EPHX2TEAD1ADRB2PARP10LIPE
SCHEMBL3944583 0.90 ITGB2 (0.40) EPHX2TEAD1GPER1
SCHEMBL3944580 0.90 ITGB2 (0.40) EPHX2TEAD1GPER1
SCHEMBL3944588 0.90 ITGB2 (0.40) EPHX2TEAD1GPER1
SCHEMBL3937004 0.90 PARP10 (0.49) EPHX2TEAD1ADRB2HRH3PARP10
SCHEMBL3937008 0.90 PARP10 (0.49) EPHX2TEAD1ADRB2HRH3PARP10
SCHEMBL4205850 0.89 EPHX2 (0.41) EPHX2TEAD1ADRB2PARP10NR4A1

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 EPHX2 3390/4885TEAD1 4389/4885ADRB2 1963/4885

“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.