SCHEMBL12199290

SCHEMBL12199290

COC(C(=O)N1CCOCC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13359381 0.81 ALDH1A1 (0.51) CYP3A4CYP2C19GAASMN1; SMN2PKM
SCHEMBL17901790 0.81 ALDH1A1 (0.51) CYP3A4CYP2C19GAASMN1; SMN2PKM
SCHEMBL28528054 0.81 CYP3A4 (0.44) CYP3A4CYP2C19GAASMN1; SMN2PKM
SCHEMBL18390852 0.79 TP53 (0.44) CYP2C19ALDH1A1HSD17B10MAPT
SCHEMBL10350673 0.79 SMN1; SMN2 (0.48) CYP3A4CYP2C19GAASMN1; SMN2PKM
SCHEMBL18390850 0.78 CA2 (0.39) PKMHPGD
SCHEMBL18704907 0.78 CHRM1 (0.41) ALDH1A1L3MBTL1
SCHEMBL10160044 0.76 SMN1; SMN2 (0.50) CYP3A4CYP2C19GAASMN1; SMN2PKM
SCHEMBL12448183 0.76 SMN1; SMN2 (0.50) CYP3A4CYP2C19GAASMN1; SMN2PKM
SCHEMBL738198 0.76 SMN1; SMN2 (0.54) CYP3A4CYP2C19GAASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010053182-A1 KYNURENINE PRODUCTION INHIBITOR 協和発酵キリン株式会社 (JP) 2010-05-14 WO 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-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 CYP3A4 110/4885CYP2C19 216/4885GAA 4031/4885

“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.