SCHEMBL2275308

SCHEMBL2275308

COc1cccc(C=Cc2ccc(C(=O)OC(C)(C)C)c(N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
RELA Q04206 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.48
NR1H4 Q96RI1 3/20 0.47
NFE2L2 Q16236 2/20 0.47
NQO2 P16083 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
FOS P01100 1/20 0.45
JUN P05412 1/20 0.45
BCHE P06276 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
APP P05067 1/20 0.45

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
SCHEMBL2275299 1.00 CYP19A1 (0.53) CYP19A1RELAABCG2NR1H4NFE2L2
SCHEMBL12395406 0.83 CYP19A1 (0.60) CYP19A1RELAABCG2NR1H4NFE2L2
SCHEMBL2272763 0.81 ALDH1A1 (0.51) CYP19A1RELAABCG2NR1H4NFE2L2
SCHEMBL2272757 0.81 ALDH1A1 (0.51) CYP19A1RELAABCG2NR1H4NFE2L2
SCHEMBL4211079 0.78 TAAR1 (0.47)
SCHEMBL4218416 0.77 NFE2L2 (0.53) RELAABCG2NR1H4NFE2L2
SCHEMBL20379139 0.77 ALDH1A1 (0.41)
SCHEMBL4218410 0.77 NFE2L2 (0.53) RELAABCG2NR1H4NFE2L2
SCHEMBL2271183 0.76 NFE2L2 (0.51) NR1H4NFE2L2CYP1A2CYP2D6CYP2C19
SCHEMBL2275469 0.76 ALDH1A1 (0.43) CYP19A1RELAABCG2NR1H4NFE2L2

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-7999132-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-08-16 US disclosed
US-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-09-24 US disclosed
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 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-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP26, MMP11 CYP19A1 654/4885RELA 270/4885ABCG2 1825/4885

“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.