Sugi Predict

Sugi Predict / Compounds / SCHEMBL3433294

SCHEMBL3433294

SCHEMBL3433294

CCCCCCCCC=CCCCCCCCCOC(O)CO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.63
▸ CNR1 P21554 1/20 0.63
▸ CNR2 P34972 1/20 0.63
▸ SPHK2 Q9NRA0 4/20 0.49
▸ SPHK1 Q9NYA1 4/20 0.49
▸ CETP P11597 3/20 0.49
▸ LPAR1 Q92633 1/20 0.49
▸ LPAR2 Q9HBW0 1/20 0.49
▸ LPAR3 Q9UBY5 1/20 0.49
▸ DGKA P23743 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ GMNN O75496 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ THRB P10828 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CXCR5 P32302 2/20 0.47
▸ CCR6 P51684 2/20 0.47

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
SCHEMBL14374273 1.00 ALDH1A1 (0.63) ALDH1A1CNR1CNR2SPHK2SPHK1
SCHEMBL30477515 0.89 USP2 (0.53) ALDH1A1CNR1CNR2SPHK1CETP
SCHEMBL2728818 0.89 USP2 (0.53) ALDH1A1CNR1CNR2SPHK1CETP
SCHEMBL5834397 0.89 USP2 (0.53) ALDH1A1CNR1CNR2SPHK1CETP
SCHEMBL15935944 0.89 USP2 (0.53) ALDH1A1CNR1CNR2SPHK1CETP
SCHEMBL29026154 0.87 ALDH1A1 (0.56) ALDH1A1CNR1CNR2LPAR1LPAR2
SCHEMBL6435202 0.87 USP2 (0.50) ALDH1A1CNR1CNR2SPHK1LPAR1
Ethylene Glycol SCHEMBL17199806 0.86 CNR2 (0.55) ALDH1A1CNR1CNR2LPAR1LPAR2
SCHEMBL9547481 0.86 CNR2 (0.55) ALDH1A1CNR1CNR2LPAR1LPAR2
SCHEMBL1053426 0.86 ALDH1A1 (0.54) ALDH1A1CNR1CNR2LPAR1LPAR2

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
US-7799808-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-09-21 — — US disclosed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 — — US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 — — 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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 ALDH1A1 622/4885CNR1 35/4885CNR2 123/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 ALDH1A1 1789/4885CNR1 2054/4885CNR2 1883/4885

“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.