SCHEMBL14945482

SCHEMBL14945482

Ic1ccc(C2CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CHRM2 P08172 8/20 0.35
CHRM3 P20309 6/20 0.35
CHRM4 P08173 4/20 0.35
CHRM1 P11229 4/20 0.35
ADRA2A P08913 3/20 0.35
DRD1 P21728 1/20 0.35
PARP1 P09874 1/20 0.34
CHRM5 P08912 6/20 0.33
GSTO1 P78417 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
SCHEMBL46155 0.86 TSHR (0.72) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL867412 0.78 TSHR (0.62) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL9772982 0.75 KCNH2 (0.44) TSHRDRD1
SCHEMBL9772734 0.75 KCNH2 (0.44) TSHRDRD1
SCHEMBL9772728 0.75 KCNH2 (0.44) TSHRDRD1
SCHEMBL1120426 0.74 TSHR (0.56) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL531416 0.74 TSHR (0.56) TSHRGSTO1
SCHEMBL13472299 0.74 TSHR (0.56) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL13450817 0.74 TSHR (0.56) TSHRCHRM2CHRM3CHRM4CHRM1
SCHEMBL1583198 0.74 TSHR (0.56) TSHRGSTO1

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 21 patents — showing the first 20. 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-9328198-B2 Composition for forming resist underlayer AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (LU) 2016-05-03 US disclosed
US-9328198-B2 Composition for forming resist underlayer AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (LU) 2016-05-03 US disclosed
US-9328198-B2 Composition for forming resist underlayer AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (LU) 2016-05-03 US disclosed
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC 2015-07-23 US disclosed
US-20150118624-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER AZ ELECTRONIC MATERIALS S.À R.L. (LU) 2015-04-30 US disclosed
US-20150118624-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER AZ ELECTRONIC MATERIALS S.À R.L. (LU) 2015-04-30 US disclosed
US-20150118624-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER AZ ELECTRONIC MATERIALS S.À R.L. (LU) 2015-04-30 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
WO-2013071169-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 WO disclosed
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. (US) 2013-05-16 US disclosed
CN-1369565-A Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger SHANGHAI INST ORGANIC CHEM (CN) 2002-09-18 CN 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 TSHR 4633/4885CHRM2 4524/4885CHRM3 4013/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TSHR 4633/4885CHRM2 4524/4885CHRM3 4013/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 TSHR 4633/4885CHRM2 4524/4885CHRM3 4013/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TSHR 4633/4885CHRM2 4524/4885CHRM3 4013/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TSHR 4633/4885CHRM2 4524/4885CHRM3 4013/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 TSHR 4633/4885CHRM2 4524/4885CHRM3 4013/4885

“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.