SCHEMBL4277993

SCHEMBL4277993

[O]C1CCCCCCC1[O]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHX1 P07099 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADH1A P07327 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH4 P08319 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 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
SCHEMBL4279284 1.00
SCHEMBL8714911 0.95
SCHEMBL701953 0.95
SCHEMBL4280450 0.86
SCHEMBL15352451 0.75 CES2 (0.30) CES2CES1
SCHEMBL15351388 0.75 CES2 (0.30) CES2CES1
SCHEMBL15351362 0.75
SCHEMBL10546704 0.75 CES2 (0.30) CES2CES1
SCHEMBL15351761 0.75 CES2 (0.30) CES2CES1
SCHEMBL15352253 0.75 CES2 (0.30) CES2CES1

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-7615660-B2 Production process of alkoxy-titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-10 US disclosed
US-20080306293-A1 Production Process of Alkoxy-Titanium Complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-11 US disclosed
EP-1845101-A1 METHOD FOR PRODUCING ALKOXYTITANIUM COMPLEX Sumitomo Chemical Company, Limited (JP) 2007-10-17 EP disclosed
EP-0970964-B1 Method for producing a titanium complex SUMITOMO CHEMICAL CO (JP) 2004-04-21 EP disclosed
US-6090961-A Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0970964-A2 Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP 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-20080306293-A1 Production Process of Alkoxy-Titanium Complex ABL1, H1-10, ALK CES2 3184/4885CES1 3119/4885ALDH1A1 1690/4885

“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.