SCHEMBL4854892

SCHEMBL4854892

CC(=O)Nc1cccc(C(C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.54
CYP1A2 P05177 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
MAPT P10636 3/20 0.53
PTGS1 P23219 3/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
PTGS2 P35354 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53

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
SCHEMBL28632640 0.88 LMNA (0.54) ALDH1A1HSD17B10MAPTPTGS1CXCR1
SCHEMBL1888517 0.85 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2NAPRTSMN1; SMN2
SCHEMBL8774039 0.85 MAPT (0.51) ALDH1A1HSD17B10MAPTPTGS1CXCR1
SCHEMBL104492 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2NAPRTSMN1; SMN2
SCHEMBL729868 0.83 PTGS1 (0.56) ALDH1A1HSD17B10CYP1A2MAPTPTGS1
SCHEMBL11359244 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2NAPRTMAPT
SCHEMBL23046942 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2NAPRTSMN1; SMN2
SCHEMBL4362389 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2NAPRTSMN1; SMN2
SCHEMBL602096 0.80 PTGS2 (0.69) ALDH1A1HSD17B10CYP1A2MAPTPTGS1
SCHEMBL10754027 0.80 POLB (0.54) ALDH1A1HSD17B10CYP1A2NAPRTMEN1

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
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
US-4692447-A HYPOTENSIVE, VASODILATOR, ANTITHROMBOTIC, ANTIAGGREGANT, CYTOPROTECTIVE BOEHRINGER BIOCHEMIA ROBIN, S.P.A. (IT) 1987-09-08 US disclosed
EP-0169443-A2 Tricyclic dihydropyridazinones and pharmaceutical compositions contaning them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-01-29 EP disclosed
US-4250252-A A DEVELOPMENT-INHIBITOR-RELEASING COMPOUND COMPRISING A 5-(SULFOAMIDO-1-INDANONE-2-YL)THIO-TETRAZOLE AGFA-GEVAERT, A.G. (DE) 1981-02-10 US 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885HSD17B10 2543/4885CYP1A2 3589/4885

“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.