SCHEMBL2695604

SCHEMBL2695604

CCCCOC(=O)CC(O)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HTR2C P28335 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAD52 P43351 1/20 0.39
FAAH O00519 1/20 0.38
DNM1 Q05193 1/20 0.38

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
SCHEMBL6153346 0.87 ALDH1A1 (0.52) NAAADGKAALDH1A1MAPTATM
SCHEMBL27502960 0.84 KDM4E (0.50) NAAADGKAALDH1A1MAPTATM
SCHEMBL9742722 0.83 NAAA (0.48) NAAADGKAALDH1A1MAPTATM
SCHEMBL16321096 0.83 NAAA (0.42) NAAADGKAALDH1A1MAPTATM
SCHEMBL95383 0.83 ALDH1A1 (0.52) NAAADGKAALDH1A1MAPTATM
SCHEMBL1866046 0.83 ALDH1A1 (0.52) NAAADGKAALDH1A1MAPTATM
SCHEMBL8652868 0.81 CYP19A1 (0.42) ALDH1A1MAPK1L3MBTL1KDM4EKMT2A
SCHEMBL19837599 0.81 GPR84 (0.48) NAAADGKAALDH1A1MAPTATM
SCHEMBL8862337 0.81 NAAA (0.47) NAAADGKAALDH1A1MAPTATM
SCHEMBL6154556 0.81 NAAA (0.61) NAAADGKAALDH1A1MAPTNPSR1

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-8168828-B2 Process for the preparation of pregabalin MSN LABORATORIES, LIMITED (IN) 2012-05-01 US disclosed
US-20100179345-A1 NOVEL PROCESS FOR THE PREPARATION OF PREGABALIN MSN LABORATORIES, LIMITED (IN) 2010-07-15 US disclosed
EP-2170813-A2 A NOVEL PROCESS FOR THE PREPARATION OF PREGABALIN Satyanarayana Reddy, Manne (IN) 2010-04-07 EP disclosed
WO-2009001372-A2 A NOVEL PROCESS FOR THE PREPARATION OF PREGABALIN SATYANARAYANA REDDY MANNE (IN) 2008-12-31 WO 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-20100179345-A1 NOVEL PROCESS FOR THE PREPARATION OF PREGABALIN GAP43, RIMKLA, GABRE NAAA 443/4885DGKA 1886/4885ALDH1A1 1323/4885

“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.