SCHEMBL14945167

SCHEMBL14945167

OCC(OC1CCC2(CC1)OCCO2)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.38
GSR P00390 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CHRM2 P08172 2/20 0.34
BLM P54132 2/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
C5AR1 P21730 1/20 0.33
PABPC1 P11940 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL14945179 0.81 GSR (0.40) TSHRKMT2AGSRCHRM2BLM
SCHEMBL14945202 0.81 KCNQ3 (0.40) TSHRKMT2AGSRSMN1; SMN2CHRM2
SCHEMBL23969201 0.81 GSR (0.41) TSHRGSRCHRM2BLMMAPK1
SCHEMBL14936104 0.81 GSR (0.41) TSHRGSRCHRM2BLMMAPK1
SCHEMBL14936137 0.77 KDM4E (0.44) GSRCHRM2BLMMAPK1HTR1A
SCHEMBL14945251 0.75 GSR (0.40) TSHRGSRCHRM2BLMMAPK1
SCHEMBL14945247 0.75 GSR (0.40) TSHRGSRCHRM2BLMMAPK1
SCHEMBL14936382 0.74 GSR (0.44) ALDH1A1TSHRKMT2AGSRCHRM2
SCHEMBL14945165 0.74 GSR (0.44) TSHRKMT2AGSRSMN1; SMN2CHRM2
SCHEMBL18820313 0.71 ACACB (0.42) ALDH1A1SMN1; SMN2SLC6A2SLC6A3TRPV3

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 16 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
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP 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-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-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
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 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 (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 ALDH1A1 104/4885TSHR 4633/4885L3MBTL1 2864/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885TSHR 4633/4885L3MBTL1 2864/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ALDH1A1 104/4885TSHR 4633/4885L3MBTL1 2864/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885TSHR 4633/4885L3MBTL1 2864/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885TSHR 4633/4885L3MBTL1 2864/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885TSHR 4633/4885L3MBTL1 2864/4885

“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.