SCHEMBL7361097

SCHEMBL7361097

CC(=O)OCCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 2/20 0.39
GALR3 O60755 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
SCHEMBL6753612 0.88 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL12332051 0.88 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL28434332 0.84 ALDH1A1 (0.45) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL29231972 0.84 ALDH1A1 (0.45) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2608220 0.83 HDAC3 (0.33) HSD17B10HDAC3HDAC1HDAC2HDAC8
SCHEMBL19821832 0.82 ALDH1A1 (0.42) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL14576008 0.81 ALDH1A1 (0.34) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL12660833 0.81 POLB (0.39) GAAHDAC3HDAC1HDAC2HDAC8
SCHEMBL22709511 0.81 LMNA (0.42) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10261566 0.80 ALDH1A1 (0.36) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301355-A1 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2011-12-08 US disclosed
US-4840772-A KIT WITH CONTAINERS OF AGENT TO REDUCE INTRAOCULAR PRESSURE AND ANTIINFLAMMATORY STEROID OR BETA-BLOCKER SCHERING CORPORATION (US) 1989-06-20 US disclosed
US-4783444-A SUBSTITUTED DIPEPTIDES SCHERING CORPORATION (US) 1988-11-08 US disclosed
EP-0236307-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS. SCHERING CORP (US) 1987-09-16 EP disclosed
US-4691049-A Process for preparing a specific diastereomer of a monoamino dicarboxylic acid ester SCHERING CORPORATION (US) 1987-09-01 US disclosed
WO-1987001707-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1987-03-26 WO disclosed
US-4584285-A Antihypertensive agents SCHERING CORPORATION (US) 1986-04-22 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-20110301355-A1 Amidine compounds and herbicides DDT, GATD3, PAM ALDH1A1 1998/4885CHRM5 602/4885CHRM1 143/4885

“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.