SCHEMBL17077331

SCHEMBL17077331

COc1cccc(/C=C2\CC/C(=C\c3cc(OC)cc(OC)c3)C2=O)c1

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.89
XDH P47989 8/20 0.82
NFE2L2 Q16236 1/20 0.69
MEN1 O00255 1/20 0.69
NPC1 O15118 1/20 0.69
MAPT P10636 1/20 0.69
PKM P14618 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 1/20 0.69
ATM Q13315 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69

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
SCHEMBL17077332 1.00 EGFR (0.89) EGFRXDHNFE2L2MEN1NPC1
SCHEMBL29857121 0.95 EGFR (0.81) EGFRXDHNFE2L2MEN1NPC1
SCHEMBL17077418 0.94 EGFR (1.00) EGFRXDHNFE2L2
SCHEMBL17077420 0.94 EGFR (1.00) EGFRXDHNFE2L2
SCHEMBL17077348 0.90 XDH (1.00) EGFRXDHNFE2L2MEN1NPC1
SCHEMBL17077346 0.90 XDH (1.00) EGFRXDHNFE2L2MEN1NPC1
SCHEMBL17077383 0.89 EGFR (0.89) EGFRXDHNFE2L2
SCHEMBL17899489 0.89 EGFR (0.91) EGFRXDHNFE2L2MEN1NPC1
SCHEMBL17077385 0.89 EGFR (0.89) EGFRXDHNFE2L2
SCHEMBL17077354 0.89 EGFR (0.86) EGFRXDHNFE2L2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409845-B2 Alpha-(3,5-dimethoxybenzylidene)-alpha′-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2016-08-09 US disclosed
EP-2927208-A1 A-(3,5-DIMETHOXY BENZYLIDENE)-A'-HYDROCARBYL METHYLENE CYCLIC KETONE AND PREPARATION METHOD THEREOF Pharmaxyn Laboratories Ltd. (CN) 2015-10-07 EP disclosed
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2015-09-17 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-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof EGFR, KDR, BMI1 EGFR 1/4885XDH 4195/4885NFE2L2 50/4885

“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.