SCHEMBL15664683

SCHEMBL15664683

COc1ccc(C2(C(=O)O)CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET3 O43151 1/20 0.42
KMT2A Q03164 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 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
SCHEMBL8469123 0.88 KDM4E (0.43) CYP2C19ALDH1A1KDM4EMAPK1
SCHEMBL8026178 0.88 KDM4E (0.43) CYP2C19ALDH1A1KDM4EMAPK1
SCHEMBL10483428 0.81 ESR2 (0.41) CYP3A4CYP2C19CA1CA2SLC6A4
SCHEMBL15664899 0.81 DRD2 (0.43) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL10659448 0.80 AKR1C1 (0.48) KMT2AOPRM1ALDH1A1HSD11B1GRIN1
SCHEMBL994596 0.80 AKR1C1 (0.48) KMT2AOPRM1ALDH1A1HSD11B1GRIN1
SCHEMBL435512 0.80 AKR1C1 (0.48) KMT2AOPRM1ALDH1A1HSD11B1GRIN1
Hydrochloric Acid SCHEMBL8114401 0.79 AKR1C1 (0.47) KMT2AOPRM1ALDH1A1HSD11B1GRIN1
Hydrochloric Acid SCHEMBL8114403 0.79 AKR1C1 (0.47) KMT2AOPRM1ALDH1A1HSD11B1GRIN1
SCHEMBL11241224 0.78 AKR1C1 (0.40) CYP2C19ALDH1A1SMN1; SMN2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE API CORPORATION (JP) 2014-05-08 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-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE PREP, NPEPPS, DNPEP TET3 1263/4885KMT2A 1129/4885FBXL19 3745/4885

“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.