SCHEMBL516823

SCHEMBL516823

NCCCCC1(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.45
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLG P00747 1/20 0.39
ALOX15 P16050 1/20 0.39
SLC6A2 P23975 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 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
SCHEMBL28226577 0.90 CPB2 (0.53) CPB2BLMLMNAALDH1A1TBXAS1
SCHEMBL798200 0.85 TBXAS1 (0.45) CPB2TBXAS1
SCHEMBL798344 0.85 TBXAS1 (0.45) CPB2TBXAS1
SCHEMBL798204 0.85 TBXAS1 (0.45) CPB2TBXAS1
SCHEMBL797992 0.85 TBXAS1 (0.45) CPB2TBXAS1
Putrescine SCHEMBL27753147 0.85 CYP2C19 (0.46) CPB2BLMLMNAALDH1A1TBXAS1
SCHEMBL19590647 0.84 CYP2C19 (0.48) CPB2TBXAS1
SCHEMBL2555016 0.83
Hydrochloric Acid SCHEMBL27798378 0.83 CYP2C19 (0.47) CPB2BLMNPSR1TBXAS1
SCHEMBL11226563 0.81 CYP4F2 (0.50) TBXAS1

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-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20030236212-A1 Functionalized long chain derivatives as acyl coenzyme-A mimics, compositions thereof, and methods of cholesterol management and related uses ESPERION THERAPEUTICS 2003-12-25 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-20030236212-A1 Functionalized long chain derivatives as acyl coenzyme-A mimics, compositions thereof, and methods of cholesterol management and related uses ACADM, COASY, ACACA CPB2 1728/4885CYP2D6 1193/4885NFKB1 3371/4885
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 CPB2 919/4885CYP2D6 424/4885NFKB1 317/4885

“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.