SCHEMBL20061141

SCHEMBL20061141

CCC(C)N[C@H]1CCCC[C@@H]1NC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
EPHX1 P07099 1/20 0.41
SHBG P04278 1/20 0.37
GAA P10253 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 2/20 0.32
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL20061126 1.00 KDM4E (0.45) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL48473 1.00 KDM4E (0.45) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL6891600 0.91 EPHX1 (0.41) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL28025157 0.87 KDM4E (0.40) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL21799818 0.85 KDM4E (0.39) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL21117982 0.85 KDM4E (0.43) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL172649 0.85 KDM4E (0.39) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL29027436 0.85 KDM4E (0.39) KDM4EEPHX1SHBGGAACYP2C19
SCHEMBL27002669 0.84 KDM4E (0.37) KDM4EEPHX1GAASMN1; SMN2
SCHEMBL24819153 0.81 EPHX1 (0.36) KDM4EEPHX1GAACYP2C19CYP2C9

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-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 US disclosed
US-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND ZHEJIANG NHU COMPANY LTD. (CN) 2018-04-19 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-20180105477-A1 A METHOD FOR PREPARING OPTICALLY ACTIVE CARBONYL COMPOUND TPSD1, QDPR, TALDO1 KDM4E 3270/4885EPHX1 1264/4885SHBG 2467/4885

“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.