SCHEMBL5763328

SCHEMBL5763328

CC(C)c1cccc(OCC(=O)Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.50
FFAR1 O14842 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PTGS1 P23219 1/20 0.43
CETP P11597 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL27482309 0.87 LMNA (0.41) KDM4ELMNAALDH1A1SMN1; SMN2FFAR1
SCHEMBL5517321 0.85 LMNA (0.63) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9121600 0.85 KDM4E (0.55) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL5763332 0.84 FFAR1 (0.61) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4854282 0.84 KDM4E (0.53) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL14624307 0.83 KMT2A (0.60) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4362709 0.82 LMNA (0.56) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL25015828 0.81 SMN1; SMN2 (0.58) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL21348765 0.81 BCHE (0.59) KDM4ELMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL20828438 0.80 KDM4E (0.61) KDM4ELMNAALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 US disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 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 (3 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI KDM4E 1754/4885LMNA 4395/4885ALDH1A1 397/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI KDM4E 1796/4885LMNA 4347/4885ALDH1A1 405/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI KDM4E 1670/4885LMNA 4415/4885ALDH1A1 494/4885

“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.