SCHEMBL1679059

SCHEMBL1679059

C1CCCC(NC2CC2)CCC1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.92
HSD17B10 Q99714 1/20 0.92
ADH1B P00325 3/20 0.50
ADH1C P00326 3/20 0.50
ADH1A P07327 3/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 2/20 0.45
EPHX1 P07099 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA1 P00915 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL5909148 1.00 ALDH1A1 (0.92) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL1679056 1.00 ALDH1A1 (0.92) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL613478 1.00 ALDH1A1 (0.92) ALDH1A1HSD17B10ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL3247210 0.96 ALDH1A1 (0.86) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24839013 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771540 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL18657086 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL24771539 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL20733078 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL21375316 0.96 ALDH1A1 (1.00) ALDH1A1HSD17B10ADH1BADH1CADH1A

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-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI ALDH1A1 4330/4885HSD17B10 1241/4885ADH1B 2487/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ALDH1A1 3512/4885HSD17B10 373/4885ADH1B 998/4885

“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.