SCHEMBL3033190

SCHEMBL3033190

CCCCC[CH]NC(CCCC)CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
DNM1 Q05193 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.35
PLA2G2C Q5R387 2/20 0.35
EPHX1 P07099 1/20 0.34
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
CA2 P00918 1/20 0.34
OPRM1 P35372 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
SCHEMBL22157430 0.84 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8939140 0.83 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22157414 0.82 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22157377 0.79 TSHR (0.31) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22157349 0.79 ADH1B (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10909087 0.78 FAAH (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11435239 0.77 ADH1B (0.64) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11110933 0.77 ADH1B (0.64) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22157458 0.76 TAS1R3 (0.30)
SCHEMBL8374807 0.76 ADH1B (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 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 (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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA ADH1B 369/4885ADH1C 570/4885ADH1A 322/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 ADH1B 599/4885ADH1C 462/4885ADH1A 446/4885

“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.