SCHEMBL14538696

SCHEMBL14538696

COc1ccc(COC[C@@H](O)CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 1/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
ATM Q13315 1/20 0.46
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2C9 P11712 1/20 0.45
CASR P41180 1/20 0.45
POLB P06746 1/20 0.44
SLC18A2 Q05940 1/20 0.44
TBXAS1 P24557 1/20 0.44
AGTR1 P30556 1/20 0.44

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
SCHEMBL1194330 1.00 CA1 (0.73) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL1194332 1.00 CA1 (0.73) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL26985990 0.87 CA1 (0.69) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL31506240 0.87 CA1 (0.69) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL31506185 0.87 CA1 (0.69) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL13109585 0.86 CA1 (0.73) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL26986088 0.84 CA1 (0.61) CA1CA2TSHRIDO1AGXT
SCHEMBL24634748 0.84 CA1 (0.70) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL8082823 0.84 CA1 (0.70) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL3423227 0.83 CA1 (0.56) CA1CA2IDO1AGXTSLC18A2

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
CN-116829557-B Pentaheterocycle compound, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2026-05-12 CN disclosed
WO-2023186842-A1 SYNTHESIS OF ISOMERICALLY PURE POLYOL-BASED PHOSPHORAMIDITES F. HOFFMANN-LA ROCHE AG (CH) 2023-10-05 WO disclosed
CN-116829557-A Pentaheterocycle compound, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2023-09-29 CN disclosed
WO-2022161489-A1 PENTAHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技股份有限公司 2022-08-04 WO disclosed
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-31 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-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof LPAR4, LPAR2, LPAR5 CA1 2286/4885CA2 2763/4885MEN1 758/4885

“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.