SCHEMBL5363727

SCHEMBL5363727

O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1Cc1ccccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
HCAR2 Q8TDS4 2/20 0.48
MCHR1 Q99705 2/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
MEN1 O00255 1/20 0.46
PTGER4 P35408 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.46
GAA P10253 1/20 0.46
LTA4H P09960 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL6408802 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EPKMSMN1; SMN2LMNA
SCHEMBL8038295 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EPKMHPGDSMN1; SMN2
SCHEMBL2287093 0.81 TSHR (0.62) LMNAALOX5MAOBNR4A1NR4A2
SCHEMBL5352027 0.81 PTGER4 (0.56) SMN1; SMN2LMNAL3MBTL1SIRT2CTSV
SCHEMBL14513318 0.79 MEN1 (0.61) ALDH1A1KDM4EPKMSMN1; SMN2LMNA
SCHEMBL8041198 0.78 GAA (0.63) ALDH1A1KDM4EPKMSMN1; SMN2LMNA
SCHEMBL6349020 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL8044216 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL2976616 0.77 MEN1 (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL5696443 0.77 ALDH1A1 (0.73) ALDH1A1KDM4EPKMHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-07-01 US claimed
US-6710205-B2 ANTIALLERGENS; ANTICANCER AGENTS; AUTOIMMUNE DISEASES; BONE DISORDERS; RHEUMATIC DISEASES; ANTIULCER AGENTS; SKIN DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US claimed
US-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US claimed
EP-1258473-A1 BENZOIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP claimed
US-7196198-B2 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-27 US disclosed
US-7196198-B2 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-27 US disclosed
US-7196198-B2 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-27 US disclosed
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-07-01 US disclosed
US-6710205-B2 ANTIALLERGENS; ANTICANCER AGENTS; AUTOIMMUNE DISEASES; BONE DISORDERS; RHEUMATIC DISEASES; ANTIULCER AGENTS; SKIN DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
EP-1258473-A1 BENZOIC ACID DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 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 (2 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-20030114435-A1 Benzoic acid derivatives, processes for producing the same and drugs containing the same as the active ingredient ALOX5, PDGFRB, ALOX15B ALDH1A1 930/4885KDM4E 1731/4885PKM 2960/4885
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PDGFRB, ALOX5, ALOX15B ALDH1A1 1003/4885KDM4E 1755/4885PKM 2877/4885

“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.