SCHEMBL5345862

SCHEMBL5345862

COC(=O)c1ccccc1C[Zn]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
GLA P06280 1/20 0.50
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.47
MYC P01106 1/20 0.47

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
SCHEMBL70322 0.86 ALDH1A1 (0.66) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL10360804 0.86 ALDH1A1 (0.77) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL156281 0.86 ALDH1A1 (0.66) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL2093835 0.84 ALDH1A1 (0.64) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL2093831 0.84 ALDH1A1 (0.64) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL3150175 0.82 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL5545357 0.82 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL104703 0.82 ALDH1A1 (0.67) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL6669086 0.82 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10CFTR
SCHEMBL5740093 0.82 ALDH1A1 (0.62) ALDH1A1LMNATSHRHSD17B10CFTR

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-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 930/4885LMNA 2424/4885TSHR 4533/4885
US-20040127487-A1 Benzoic acid derivatives, processes for the preparation thereof and pharmaceutical agents comprising the same as active ingredient PDGFRB, ALOX5, ALOX15B ALDH1A1 1003/4885LMNA 2014/4885TSHR 4516/4885

“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.