SCHEMBL611940

SCHEMBL611940

CC1(c2ccc(C(=O)c3ccc(C4(C)CCCCC4)cc3)cc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
RARA P10276 3/20 0.38
HPGD P15428 3/20 0.38
SRD5A2 P31213 3/20 0.38
MAPT P10636 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL418997 0.86 RARB (0.50) ALDH1A1RARBRARGRXRARXRB
SCHEMBL29119959 0.85 ALDH1A1 (0.40) ALDH1A1LMNARARBRARGRARA
SCHEMBL14207854 0.84 HPGD (0.47) ALDH1A1LMNAHPGDMAPTRAB9A
SCHEMBL29119962 0.84 RXRA (0.49) ALDH1A1RARBRARGRXRARXRB
SCHEMBL10602015 0.82 ESR1 (0.42) ALDH1A1ESR1ESR2
SCHEMBL29119934 0.82 ALDH1A1 (0.41) ALDH1A1RARBRARGRXRARARA
SCHEMBL14667564 0.82 CA1 (0.48) ALDH1A1LMNAMAPTHTTNPC1
SCHEMBL8724310 0.82 HSD11B1 (0.38) LMNARARBRARGRARAHTT
SCHEMBL12356799 0.80 RXRA (0.49) ALDH1A1RARBRARGRXRARXRB
SCHEMBL8722942 0.79 SMN1; SMN2 (0.36) ALDH1A1LMNARARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2500347-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-09-19 EP disclosed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP disclosed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-8076344-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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 (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-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT ALDH1A1 220/4885LMNA 4304/4885RARB 2501/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT ALDH1A1 220/4885LMNA 4304/4885RARB 2501/4885

“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.