SCHEMBL17077342

SCHEMBL17077342

COc1cc(C=C2CCCCC2=O)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
NFE2L2 Q16236 1/20 0.73
XDH P47989 5/20 0.58

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
SCHEMBL17077341 1.00 EGFR (1.00) EGFRNFE2L2XDH
SCHEMBL1524672 0.97 EGFR (0.93) EGFRNFE2L2XDH
SCHEMBL27901141 0.97 EGFR (0.93) EGFRNFE2L2XDH
SCHEMBL1524674 0.97 EGFR (0.93) EGFRNFE2L2XDH
SCHEMBL21030099 0.84 EGFR (1.00) EGFRNFE2L2XDH
SCHEMBL17135218 0.84 EGFR (1.00) EGFRNFE2L2XDH
SCHEMBL3138953 0.84 EGFR (0.72) EGFRNFE2L2XDH
SCHEMBL3438262 0.84 EGFR (0.72) EGFRNFE2L2XDH
SCHEMBL28430681 0.84 EGFR (0.72) EGFRNFE2L2XDH
SCHEMBL30825569 0.83 EGFR (0.70) EGFRNFE2L2XDH

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 1/4885NFE2L2 50/4885XDH 4195/4885

“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.