SCHEMBL2941377

SCHEMBL2941377

O=C(O)CC(O)(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
LMNA P02545 6/20 0.48
MAPT P10636 6/20 0.48
S1PR4 O95977 2/20 0.48
S1PR1 P21453 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP2C19 P33261 2/20 0.46
PAM P19021 2/20 0.46
HIF1A Q16665 1/20 0.46
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PLIN1 O60240 2/20 0.41
RECQL P46063 2/20 0.41
PLIN5 Q00G26 2/20 0.41
ABHD5 Q8WTS1 2/20 0.41
TNKS O95271 1/20 0.41

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
SCHEMBL2941375 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL314150 0.82 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL314148 0.82 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL2946421 0.81 CYP2C19 (0.47) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL2946424 0.81 CYP2C19 (0.47) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL2939921 0.77 CYP2C19 (0.54) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL2939919 0.77 CYP2C19 (0.54) ALDH1A1LMNAMAPTS1PR4S1PR1
(Z)-1,2-Diphenylethene SCHEMBL27566031 0.73 ALDH1A1 (0.58) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL7042549 0.72 NPC1 (0.47) ALDH1A1LMNAMAPTS1PR4S1PR1
SCHEMBL7081805 0.72 NPC1 (0.47) ALDH1A1LMNAMAPTS1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
EP-1471056-B1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-07-11 EP disclosed
US-7662974-B2 reduction of carboxylic acid ester using metal hydride complexes and metal halides to form compounds such as ethyl (3S)-3-hydroxy-3-{6-[(methylamino)carbonyl]-2-naphthyl}-3-(1-trityl-1H-imidazol-4-yl)propanoate, used as lyase enzyme inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-16 US disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 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-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 ALDH1A1 1246/4885LMNA 4296/4885MAPT 2980/4885

“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.