SCHEMBL12282147

SCHEMBL12282147

COC(C(=O)N1CCOCC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 5/20 0.58
CHRM1 P11229 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
USP9X Q93008 1/20 0.47

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
SCHEMBL21907373 0.86 CHRM1 (0.56) KMT2AALDH1A1CHRM1RAB9AMAPK1
SCHEMBL13865331 0.84 CHRM1 (0.55) KMT2AALDH1A1CHRM1RAB9AMAPK1
SCHEMBL14946445 0.84 ALDH1A1 (0.55) KMT2AALDH1A1CHRM1ALOX15HSD17B10
SCHEMBL18390251 0.83 CHRM1 (0.74) CHRM1HSD17B10RAB9AMAPK1
SCHEMBL3624311 0.82 CHRM1 (0.52) KMT2ACHRM1RAB9AMAPK1MEN1
Hydrochloric Acid SCHEMBL25272683 0.81 CHRM1 (0.51) KMT2ACHRM1RAB9AMAPK1
Hydrochloric Acid SCHEMBL25272684 0.81 CHRM1 (0.51) KMT2ACHRM1RAB9AMAPK1
SCHEMBL18390271 0.81 CHRM1 (0.60) KMT2AALDH1A1CHRM1RAB9AMAPK1
SCHEMBL4913725 0.80 TSHR (0.67) KMT2AALDH1A1ALOX15HSD17B10MEN1
SCHEMBL18713065 0.79 CHRM1 (0.53) KMT2AALDH1A1CHRM1RAB9AMAPK1

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-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 US disclosed
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
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 KMT2A 464/4885ALDH1A1 1689/4885CHRM1 11/4885

“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.