SCHEMBL16748950

SCHEMBL16748950

COc1ccc(P(c2ccc(OC)cc2)c2cccc3c2OC24Oc5c(cccc5P(c5ccc(OC)cc5)c5ccc(OC)cc5)C[C@@H]2CCC[C@H]4C3)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
TOP1 P11387 1/20 0.32
DRD1 P21728 1/20 0.31
HTR3A P46098 1/20 0.31
SLC6A4 P31645 2/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL16745292 1.00 DRD2 (0.32) DRD2TOP1DRD1HTR3ASLC6A4
SCHEMBL16814045 1.00 DRD2 (0.32) DRD2TOP1DRD1HTR3ASLC6A4
SCHEMBL17070587 0.96 TOP1 (0.38) DRD2TOP1KMT2A
SCHEMBL16812582 0.96 TOP1 (0.38) DRD2TOP1KMT2A
SCHEMBL17070567 0.96 TOP1 (0.38) DRD2TOP1KMT2A
SCHEMBL16748896 0.87 DRD1 (0.33) DRD1
SCHEMBL16813907 0.87 DRD1 (0.33) DRD1
SCHEMBL16745246 0.87 DRD1 (0.33) DRD1
SCHEMBL16812580 0.87 DRD1 (0.33) DRD1
SCHEMBL16745328 0.85 DRD1 (0.40) DRD1

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-9518014-B2 Process for synthesis of ezetimibe and intermediates used in said process SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-13 US disclosed
EP-2876102-B1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2016-12-07 EP disclosed
US-20150166479-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-18 US disclosed
EP-2876102-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-05-27 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 (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-20150166479-A1 PROCESS FOR SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USED IN SAID PROCESS HMGCR, COASY, APOB DRD2 4462/4885TOP1 1360/4885DRD1 4195/4885

“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.