SCHEMBL1315746

SCHEMBL1315746

COC(C)(C)OCc1cc(Br)c(COC(C)(C)OC)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL31009556 1.00 ALDH1A1 (0.31) ALDH1A1GAAHTTRAD52
SCHEMBL31009547 0.89 ALOX15 (0.31)
SCHEMBL31009548 0.81
SCHEMBL3096728 0.80 DPP4 (0.31)
SCHEMBL31009563 0.80 DPP4 (0.31)
SCHEMBL31009565 0.80 HTR2A (0.40)
SCHEMBL31009523 0.76 GPR35 (0.30)
SCHEMBL31009559 0.76
SCHEMBL1567609 0.75 PYCR1 (0.37) ALDH1A1GAAHTT
SCHEMBL29765549 0.75 PYCR1 (0.37) ALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305390-A1 C,O-SPIRO ARYL GLYCOSIDE COMPOUNDS, PREPARATION THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-10-25 US disclosed
US-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-10 US disclosed
EP-2048153-A1 SUBSTITUTED SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 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-20180305390-A1 C,O-SPIRO ARYL GLYCOSIDE COMPOUNDS, PREPARATION THEREFOR AND USE THEREOF SLC5A2, SLC5A1, GLP1R ALDH1A1 399/4885GAA 734/4885HTT 2156/4885
US-20110275703-A1 SUBSTITUTED SPIROKETAL DERIVATIVES AND USE THEREOF AS THERAPEUTIC DRUG FOR DIABETES SLC5A1, OR10J3, AKR1C3 ALDH1A1 222/4885GAA 3545/4885HTT 4470/4885

“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.