SCHEMBL3946769

SCHEMBL3946769

O=C(O)C=CC=C(c1ccc(OCC2CC2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.50
PARP10 Q53GL7 4/20 0.50
PARP2 Q9UGN5 2/20 0.50
MAOB P27338 3/20 0.43
NR1H4 Q96RI1 1/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PSEN1 P49768 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
SCHEMBL3946767 1.00 PARP15 (0.50) PARP15PARP10PARP2MAOBNR1H4
SCHEMBL3946765 1.00 PARP15 (0.50) PARP15PARP10PARP2MAOBNR1H4
SCHEMBL4088139 0.93 PARP15 (0.43) PARP15PARP10PARP2MAOBCYP1A1
SCHEMBL4088142 0.93 PARP15 (0.43) PARP15PARP10PARP2MAOBCYP1A1
SCHEMBL4088145 0.93 PARP15 (0.43) PARP15PARP10PARP2MAOBCYP1A1
SCHEMBL3945141 0.90 CYP1A1 (0.44) MAOBCYP1A1CYP1B1ALOX5
SCHEMBL3945137 0.90 CYP1A1 (0.44) MAOBCYP1A1CYP1B1ALOX5
SCHEMBL3945139 0.90 CYP1A1 (0.44) MAOBCYP1A1CYP1B1ALOX5
SCHEMBL3941234 0.90 NR1H4 (0.44) PARP15PARP10PARP2MAOBNR1H4
SCHEMBL3941238 0.90 NR1H4 (0.44) PARP15PARP10PARP2MAOBNR1H4

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 PARP15 1899/4885PARP10 1526/4885PARP2 4098/4885

“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.