SCHEMBL1976563

SCHEMBL1976563

O=C(NC1(C(=O)O)CC1)c1ccc(OC2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSL P07711 4/20 0.46
CTSB P07858 4/20 0.46
CTSS P25774 4/20 0.46
EPHX2 P34913 6/20 0.46
PARP10 Q53GL7 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
FAAH O00519 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DGAT1 O75907 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL1976483 0.82 EPHX2 (0.47) ALDH1A1CTSLCTSBCTSSEPHX2
SCHEMBL1977177 0.79 PLK1 (0.58) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12589485 0.77 ALOX15 (0.58) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1740329 0.76 CTSL (0.53) ALDH1A1LMNACTSLFAAHCASP3
SCHEMBL1976526 0.74 KDM4E (0.48) ALDH1A1LMNANPC1RAB9A
SCHEMBL1740298 0.74 KCNK3 (0.46) NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL24653528 0.74 CA1 (0.58) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1976504 0.74 PLK1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2SPHK1
SCHEMBL1841973 0.73 CNR2 (0.52) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1977190 0.73 ALDH1A1 (0.70) ALDH1A1LMNAEPHX2PARP10FAAH

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509981-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE LILLY CO ELI (US) 2014-08-06 EP disclosed
EP-2509981-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE LILLY CO ELI (US) 2014-08-06 EP disclosed
US-8299061-B2 Inhibitors of diacylglycerol acyltransferase ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
US-8299061-B2 Inhibitors of diacylglycerol acyltransferase ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
EP-2509981-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Eli Lilly and Company (US) 2012-10-17 EP disclosed
US-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase ELI LILLY AND COMPANY (US) 2011-06-16 US disclosed
US-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase ELI LILLY AND COMPANY (US) 2011-06-16 US disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 WO disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 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-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT1, DGAT2, LCAT ALDH1A1 691/4885LMNA 4620/4885NPC1 286/4885

“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.