SCHEMBL714504

SCHEMBL714504

COC(C)(C(N)=O)C(C)(OC)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7692712 1.00 ALDH1A1 (0.33) ALDH1A1LMNAALOX15BLMPMP22
SCHEMBL30073113 0.89 TSHR (0.35) ALDH1A1MAPTKMT2A
SCHEMBL29278313 0.89 TSHR (0.35) ALDH1A1MAPTKMT2A
SCHEMBL17094648 0.84 F2 (0.30)
SCHEMBL1698329 0.75
SCHEMBL1160500 0.75
SCHEMBL31519368 0.73
SCHEMBL20641576 0.71 LMNA (0.35) ALDH1A1LMNAALOX15BLMPMP22
SCHEMBL30073299 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1671160 0.71 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024012568-A1 A KEY INTERMEDIATE FOR PREPARING GLUCOPYRANOSYL DERIVATIVES AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-18 WO claimed
WO-2024012568-A1 A KEY INTERMEDIATE FOR PREPARING GLUCOPYRANOSYL DERIVATIVES AND PREPARATION METHOD THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-18 WO disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
CN-101160306-B Benzimidazole compounds EISAI R&D MAN CO LTD 2011-11-02 CN disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
CN-101160306-A Benzimidazole compounds EISAI R&D MAN CO LTD (JP) 2008-04-09 CN disclosed
EP-1870409-A1 BENZIMIDAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-12-26 EP disclosed
US-20070015782-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-18 US disclosed
US-20070010542-A1 Benzimidazole compound EISAI CO., LTD. 2007-01-11 US disclosed
EP-1354878-B1 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors ALLERGAN INC (US) 2005-11-23 EP disclosed
EP-1354878-A2 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors Allergan, Inc. (US) 2003-10-22 EP disclosed
EP-1117648-B1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN INC (US) 2003-08-06 EP disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
EP-1117648-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
WO-2000020397-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
US-6048873-A SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-11 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 (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-20070010542-A1 Benzimidazole compound HRH2, GIPR, HRH4 ALDH1A1 1028/4885LMNA 3526/4885ALOX15 232/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 ALDH1A1 1053/4885LMNA 3603/4885ALOX15 358/4885
US-20070015782-A1 Benzimidazole compound HRH2, GIPR, HRH4 ALDH1A1 1028/4885LMNA 3526/4885ALOX15 232/4885

“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.