SCHEMBL3345542

SCHEMBL3345542

CC(=O)OCCO.CC(C)(C)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
TSHR P16473 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
GALR3 O60755 2/20 0.41
GAA P10253 2/20 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
SCHEMBL1401682 0.88 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL1401412 0.88 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL27796 0.85
SCHEMBL3343720 0.85 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL3070371 0.85 ALDH1A1 (0.55) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL25232908 0.83
Ethylene Glycol SCHEMBL7784600 0.83 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3TSHR
SCHEMBL15106933 0.83
SCHEMBL21580547 0.83
SCHEMBL2047002 0.83

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
US-20160020003-A1 OXIDE SUPERCONDUCTOR COMPOSITION, OXIDE SUPERCONDUCTOR WIRE, AND PRODUCTION METHOD FOR OXIDE SUPERCONDUCTOR WIRE SWCC SHOWA CABLE SYSTEMS CO., LTD (JP) 2016-01-21 US disclosed
US-7819965-B2 Coating formulation and process for the production of titanate-based ceramic film with the coating formulation ADEKA CORPORATION (JP) 2010-10-26 US disclosed
US-20100159128-A1 Niobium 2-ethylhexanoate derivative, method of producing the derivative, organic acid metal salt composition containing the derivative, and method of producing thin film using the composition YOSHINAKA ATSUYA 2010-06-24 US disclosed
US-20090136658-A1 Niobium 2-Ethylhexanoate Derivative, Method Of Producing The Derivative, Organic Acid Metal Salt Composition Containing The Derivative, And Method Of Producing Thin Film Using The Composition ADEKA CORPORATION (JP) 2009-05-28 US disclosed
US-20080090006-A1 COATING FORMULATION AND PROCESS FOR THE PRODUCTION OF TITANATE-BASED CERAMIC FILM WITH THE COATING FORMULATION ADEKA CORPORATION (JP) 2008-04-17 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-20090136658-A1 Niobium 2-Ethylhexanoate Derivative, Method Of Producing The Derivative, Organic Acid Metal Salt Composition Containing The Derivative, And Method Of Producing Thin Film Using The Composition HDHD5, HAO2, CA2 ALDH1A1 3104/4885CHRM5 1139/4885CHRM1 3133/4885

“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.