SCHEMBL3035856

SCHEMBL3035856

CCCCCCCCCCC(Cl)C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.47
ADH1C P00326 2/20 0.47
ADH1A P07327 2/20 0.47
ADH4 P08319 2/20 0.47
ADH7 P40394 2/20 0.47
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.41
TRPA1 O75762 1/20 0.41
DDAH1 O94760 1/20 0.41
GAPDH P04406 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FDPS P14324 3/20 0.40
FFAR1 O14842 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 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
SCHEMBL3434441 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL741327 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5270880 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5277050 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL738270 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11554302 0.98 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5279492 0.98
SCHEMBL790247 0.90
SCHEMBL15423552 0.90
SCHEMBL17582694 0.82 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501658-B2 Enantioselective reactions catalyzed by chiral triazolium salts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-06 US disclosed
US-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 US disclosed
WO-2007124494-A2 ENANTIOSELECTVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 WO disclosed
US-4051167-A Alpha halo substituted peroxyesters and their use as polymerization initiators ARGUS CHEMICAL CORPORATION (US) 1977-09-27 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-20100210452-A1 ENANTIOSELECTIVE REACTIONS CATALYZED BY CHIRAL TRIAZOLIUM SALTS IDH1, MDM4, PCNA ADH1B 1217/4885ADH1C 604/4885ADH1A 1691/4885

“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.