SCHEMBL3222285

SCHEMBL3222285

CCOC(=O)CCc1ccncc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DGAT2 Q96PD7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MAPT P10636 1/20 0.41
TBXAS1 P24557 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL23599088 0.86 CYP4F2 (0.53) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL27224521 0.86 CYP4F2 (0.56) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL27582108 0.84 CCNC (0.55) ALDH1A1GAACCNCCDK8MAPT
SCHEMBL17540563 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL31674750 0.84 CYP4F2 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL21855487 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL23579599 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL3651691 0.84 CYP4F2 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL30178437 0.83 CYP4F2 (0.53) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL28309812 0.81 CCNC (0.53) CYP4F2CYP4A11CA12CA1CA2

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
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
CN-100510093-C Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative SALTIGO GMBH (DE) 2009-07-08 CN disclosed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN 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-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 CYP4F2 1149/4885CYP4A11 297/4885CA12 1616/4885

“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.