SCHEMBL7249398

SCHEMBL7249398

C[C@@H](O)CN(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
AOC3 Q16853 3/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 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
SCHEMBL1956071 1.00 KDM4E (0.43) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL7245024 1.00 KDM4E (0.43) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL8852755 0.84 KDM4E (0.44) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL1554057 0.82 HTR2A (0.48) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL3880036 0.81 ALDH1A1 (0.44) ALDH1A1SLC6A2SLC6A4CYP2C19
SCHEMBL11239989 0.81 AOC3 (0.46) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
Ammonia Solution, Strong SCHEMBL6699284 0.80 HTR2A (0.46) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL5928289 0.80 POLB (0.58) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL338524 0.80 POLB (0.44) KDM4EL3MBTL1POLBAPOBEC3AAPOBEC3G
SCHEMBL11505617 0.79 AOC3 (0.63) KDM4EL3MBTL1AOC3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C KDM4E 3774/4885L3MBTL1 4559/4885POLB 1045/4885

“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.