SCHEMBL12019192

SCHEMBL12019192

CC(=O)NCC1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.40
MTNR1A P48039 4/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 1/20 0.35
TSHR P16473 1/20 0.34
MTNR1B P49286 3/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
ENGASE Q8NFI3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL14192097 0.91 SMN1; SMN2 (0.38) FUCA1MTNR1AGLANPSR1KDM4E
SCHEMBL6825744 0.79 ALDH1A1 (0.35) NPSR1ALDH1A1
SCHEMBL31677770 0.77
SCHEMBL16750997 0.77 KDM4E (0.44) MTNR1ANPSR1KDM4EMAPK1HIF1A
SCHEMBL4663635 0.76
SCHEMBL14169155 0.76 KMT2A (0.31)
SCHEMBL2863034 0.76
SCHEMBL12017885 0.76 DPP4 (0.37) MTNR1AMTNR1BALDH1A1
SCHEMBL15500189 0.76 MTNR1A (0.46) FUCA1MTNR1AKDM4EMAPK1ALDH1A1
SCHEMBL13637833 0.74 GLA (0.37) FUCA1MTNR1AGLANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION 2012-08-30 US disclosed
WO-2011011508-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION (US) 2011-01-27 WO disclosed
US-7375108-B2 2-substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-05-20 US disclosed
US-20070105873-A1 2-Substituted pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-05-10 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 (2 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-20070105873-A1 2-Substituted pyrimidines TYMP, RRM2, TYMS FUCA1 3920/4885MTNR1A 1618/4885GLA 3416/4885
US-20120220567-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCD, SCD5, CPT1A FUCA1 3587/4885MTNR1A 690/4885GLA 1230/4885

“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.