SCHEMBL14945247

SCHEMBL14945247

OC[C@H](O[C@@H]1CCOC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.40
CTSL P07711 1/20 0.37
PDE4D Q08499 5/20 0.36
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
CHRM2 P08172 2/20 0.36
BLM P54132 2/20 0.36
MAPK1 P28482 1/20 0.35
PABPC1 P11940 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP1A2 P05177 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL14945251 1.00 GSR (0.40) GSRCTSLPDE4DPDE4APDE4B
SCHEMBL23969201 0.91 GSR (0.41) GSRCHRM2BLMMAPK1PABPC1
SCHEMBL14936104 0.91 GSR (0.41) GSRCHRM2BLMMAPK1PABPC1
SCHEMBL14936382 0.87 GSR (0.44) GSRCHRM2BLMTSHRLMNA
SCHEMBL29519805 0.79 DRD3 (0.51) CHRM2MAPK1TSHRLMNACHRM4
SCHEMBL14936137 0.78 KDM4E (0.44) GSRCHRM2BLMMAPK1CHRM1
SCHEMBL21881178 0.76 CTSL (0.40) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL14945202 0.76 KCNQ3 (0.40) GSRCHRM2BLMMAPK1PABPC1
SCHEMBL14945167 0.75 ALDH1A1 (0.40) GSRCHRM2BLMMAPK1PABPC1
SCHEMBL14945165 0.74 GSR (0.44) GSRCHRM2BLMPABPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2016-10-13 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-8969557-B2 ACC inhibitors and uses thereof Nimbus Apollo, Inc. (US) 2015-03-03 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (6 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-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885CTSL 2556/4885PDE4D 3100/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885CTSL 2556/4885PDE4D 3100/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 GSR 1846/4885CTSL 2556/4885PDE4D 3100/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885CTSL 2556/4885PDE4D 3100/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885CTSL 2556/4885PDE4D 3100/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885CTSL 2556/4885PDE4D 3100/4885

“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.