SCHEMBL3474583

SCHEMBL3474583

CCCCCN(C#N)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
PTGES O14684 2/20 0.48
RARB P10826 7/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PLA2G4B P0C869 1/20 0.45
MEN1 O00255 1/20 0.45
RARA P10276 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 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
SCHEMBL472292 0.80 EGFR (0.53) ALOX5PTGESRARBTP53TSHR
SCHEMBL13159000 0.80 NPC1 (0.45) TP53MAPT
SCHEMBL472312 0.79 PTGES (0.54) ALOX5PTGESRARBTP53TSHR
SCHEMBL29114273 0.79 PTGES (0.51) ALOX5PTGESRARBTP53TSHR
SCHEMBL1134696 0.79 PTGES (0.54) ALOX5PTGESRARBTP53TSHR
SCHEMBL3786342 0.79 PTGES (0.54) ALOX5PTGESRARBTP53TSHR
SCHEMBL11539577 0.79 PTGES (0.54) ALOX5PTGESRARBTP53TSHR
SCHEMBL8650216 0.78 PTGES (0.53) ALOX5PTGESRARBTP53TSHR
SCHEMBL9063289 0.78 PTGES (0.53) ALOX5PTGESRARBTP53TSHR
SCHEMBL11044465 0.78 PTGES (0.53) ALOX5PTGESRARBTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 ALOX5 3477/4885PTGES 4062/4885RARB 4098/4885

“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.