SCHEMBL14945385

SCHEMBL14945385

CCO[C@@H](CO)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
AGTR1 P30556 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC6A4 P31645 1/20 0.41
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ENPP2 Q13822 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
SCHEMBL14945386 1.00 LMNA (0.45) LMNAAGTR1CYP1A2POLBHTT
SCHEMBL16920272 0.89 ALDH1A1 (0.44) LMNAAGTR1CYP1A2NPSR1L3MBTL1
SCHEMBL16920273 0.89 ALDH1A1 (0.44) LMNAAGTR1CYP1A2NPSR1L3MBTL1
SCHEMBL19361589 0.83 CYP1A2 (0.46) LMNAAGTR1CYP1A2POLBHTT
SCHEMBL19361578 0.83 LMNA (0.42) LMNAAGTR1CYP1A2POLBHTT
SCHEMBL19361586 0.82 KDM4E (0.38) TSHRMAPTMAPK1
SCHEMBL20220648 0.81 LMNA (0.49) LMNAAGTR1CYP1A2POLBHTT
SCHEMBL18820706 0.80 AGTR1 (0.41) LMNAAGTR1CYP1A2POLBHTT
SCHEMBL14945341 0.79 AGTR1 (0.45) LMNAAGTR1CYP1A2POLBHTT
SCHEMBL14945342 0.79 AGTR1 (0.45) LMNAAGTR1CYP1A2POLBHTT

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-20190330224-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-10-31 US disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
US-10179793-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-01-15 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-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 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-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 (8 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 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885
US-10179793-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 LMNA 3238/4885AGTR1 1646/4885CYP1A2 1009/4885

“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.