SCHEMBL17375802

SCHEMBL17375802

COc1cccc(/C=C/CBr)c1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.58
CYP1A1 P04798 4/20 0.54
CYP1A2 P05177 4/20 0.54
CYP1B1 Q16678 3/20 0.54
PRMT1 Q99873 1/20 0.54
CYP19A1 P11511 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALOX5 P09917 1/20 0.50
CYP2D6 P10635 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL4679776 0.86 NFE2L2 (0.44) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4679780 0.86 NFE2L2 (0.44) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL28250254 0.84 NFE2L2 (0.64) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL13570118 0.84 NFE2L2 (0.60) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL9714159 0.84 NFE2L2 (0.64) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL3891812 0.84 CYP1A1 (0.54) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL7453390 0.84 CYP1A1 (0.54) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL10723109 0.84 NFE2L2 (0.56) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL17580725 0.84 NFE2L2 (0.56) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL118591 0.83 NFE2L2 (0.79) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160462-B1 LEOLIGIN DERIVATIVES AS PROLIFERATION INHIBITORS OF SMOOTH MUSCLE CELLS UNIV WIEN TECH (AT) 2023-11-22 EP disclosed
EP-4265602-A2 LEOLIGIN DERIVATIVES AS PROLIFERATION INHIBITORS OF SMOOTH MUSCLE CELLS TECHNISCHE UNIVERSITÄT WIEN (AT) 2023-10-25 EP disclosed
US-20170157301-A1 LEOLIGIN DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS TECHNISCHE UNIVERSITÄET WIEN (AT) 2017-06-08 US disclosed
EP-3160462-A1 LEOLIGIN DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS Technische Universität Wien (AT) 2017-05-03 EP disclosed
WO-2015196228-A1 LEOLIGIN DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2015-12-30 WO 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-20170157301-A1 LEOLIGIN DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS CCNH, MYLK, CCAR2 NFE2L2 1629/4885CYP1A1 4557/4885CYP1A2 3512/4885

“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.