SCHEMBL14945475

SCHEMBL14945475

CC(C)CO[C@H](CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
TRPA1 O75762 6/20 0.44
GPR88 Q9GZN0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL27704701 1.00 GSR (0.47) GSRTRPA1GPR88ALDH1A1TSHR
SCHEMBL14945472 1.00 GSR (0.47) GSRTRPA1GPR88ALDH1A1TSHR
SCHEMBL28000425 0.87 LMNA (0.48) GSRTRPA1ALDH1A1BLMKDM4E
SCHEMBL27620645 0.82 ALDH1A1 (0.43) TRPA1ALDH1A1TSHRHPGDNPSR1
SCHEMBL21598320 0.81 NPSR1 (0.37) ALDH1A1TSHRHPGDNPSR1KDM4E
SCHEMBL10988470 0.81 NPSR1 (0.37) ALDH1A1TSHRHPGDNPSR1KDM4E
SCHEMBL23868114 0.80 GSR (0.50) GSRTRPA1LMNA
SCHEMBL5831230 0.80 GSR (0.50) GSRTRPA1LMNA
SCHEMBL9862388 0.79 GSR (0.53) GSRTRPA1BLMNPSR1KDM4E
Bicarbonate SCHEMBL28036766 0.78 TSHR (0.44) ALDH1A1TSHRKDM4ELMNA

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 15 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-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
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

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 1846/4885TRPA1 4839/4885GPR88 3503/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885TRPA1 4839/4885GPR88 3503/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 GSR 1846/4885TRPA1 4839/4885GPR88 3503/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885TRPA1 4839/4885GPR88 3503/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885TRPA1 4839/4885GPR88 3503/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 GSR 1846/4885TRPA1 4839/4885GPR88 3503/4885

“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.