SCHEMBL4019329

SCHEMBL4019329

COc1ccccc1/C=C\c1ccccc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.79
TRPA1 O75762 1/20 0.79
CYP1A1 P04798 3/20 0.70
CYP1A2 P05177 3/20 0.70
CYP1B1 Q16678 3/20 0.70
CYP19A1 P11511 1/20 0.68
TFEB P19484 1/20 0.67
KDM4E B2RXH2 2/20 0.64
PTGS1 P23219 2/20 0.61
PTGS2 P35354 2/20 0.61
ALOX5 P09917 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
NPC1 O15118 2/20 0.58
MAPT P10636 2/20 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
SCHEMBL7915752 1.00 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL1603719 1.00 NFE2L2 (0.79) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9168164 0.91 NFE2L2 (0.88) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL9168170 0.91 NFE2L2 (0.88) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL713258 0.89 NFE2L2 (1.00) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL713256 0.89 NFE2L2 (1.00) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL4461398 0.88 NFE2L2 (0.64) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL1883472 0.88 NFE2L2 (0.64) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL29580852 0.88 NFE2L2 (0.64) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL16933894 0.88 NFE2L2 (0.64) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507851-B2 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS, A STATE CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2009-03-24 US disclosed
US-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2008-05-22 US disclosed
EP-1802560-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF Arizona Board Regents, a body corporate of the State of Arizona, acting for and on behalf of Arizona State University (US) 2007-07-04 EP disclosed
WO-2006036743-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-04-06 WO disclosed
EP-0141271-A3 TALL OIL FATTY ACIDS - QUALITY IMPROVEMENT ARIZONA CHEMICAL COMPANY (US) 1986-02-05 EP disclosed
US-4536332-A ISOMERIZING TRANS-DIMETHOXYSTILBENE TO CIS CONFIGURATION, DISTILLING OUT ARIZONA CHEMICAL COMPANY (US) 1985-08-20 US disclosed
EP-0141271-A2 Tall oil fatty acids - quality improvement ARIZONA CHEMICAL COMPANY (US) 1985-05-15 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-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF TUBB3, TUBB8B, TUBB8 NFE2L2 4884/4885TRPA1 4108/4885CYP1A1 4678/4885

“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.