SCHEMBL2531345

SCHEMBL2531345

Nc1cccc(OC(Oc2cccc(N)c2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 3/20 0.50
MAOB P27338 2/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
APP P05067 1/20 0.39
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP1 Q9C000 1/20 0.36

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
SCHEMBL30350411 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL7194717 0.93 ALDH1A1 (0.44) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL7187803 0.93 ALDH1A1 (0.44) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL2090701 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL29366090 0.83 CYP3A4 (0.54) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL1523 0.83 CYP3A4 (0.54) ALDH1A1CYP3A4MAOBMAPTPOLB
Hydrochloric Acid SCHEMBL31174567 0.82 POLB (0.53) ALDH1A1CYP3A4MAOBMAPTPOLB
Hydrochloric Acid SCHEMBL27585318 0.82 POLB (0.53) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL10889608 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL29510672 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB

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-20110257360-A1 TETRACARBOXYLIC ACID OR POLYESTERIMIDE THEREOF AND PROCESS FOR PRODUCING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-10-20 US disclosed
US-20100145002-A1 TETRACARBOXYLIC ACID OR POLYESTERIMIDE THEREOF, AND PROCESS FOR PRODUCTION OF THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2010-06-10 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 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-20100145002-A1 TETRACARBOXYLIC ACID OR POLYESTERIMIDE THEREOF, AND PROCESS FOR PRODUCTION OF THE SAME PAICS, TECR, AADAC ALDH1A1 1216/4885CYP3A4 770/4885MAOB 2891/4885

“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.