SCHEMBL14945593

SCHEMBL14945593

COCc1ccccc1C1CO1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.48
TSHR P16473 1/20 0.39
P2RX3 P56373 7/20 0.35
CTSB P07858 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
PDK2 Q15119 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
SCHEMBL6794782 0.87 ADRA1A (0.42) ADRA1AP2RX3CTSBSLC6A2SLC6A4
SCHEMBL14945603 0.82 ADRA1A (0.38) ADRA1ATSHRP2RX3CTSBSLC6A2
SCHEMBL8358228 0.80 CTSB (0.49) TSHRCTSBSLC6A2SLC6A4MEN1
SCHEMBL28649448 0.80 ALDH1A1 (0.46) ADRA1AALDH1A1
SCHEMBL20052999 0.79 TSHR (0.50) TSHRSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL14948695 0.79 SMN1; SMN2 (0.41) ADRA1ATSHRCTSBSLC6A2SLC6A4
SCHEMBL28283505 0.78 CTSB (0.47) TSHRCTSBSLC6A2SLC6A4MEN1
SCHEMBL31503923 0.76 TSHR (0.41) TSHRCTSBHTR2AHTR2CHTR2B
SCHEMBL7049394 0.76 TSHR (0.41) TSHRCTSBHTR2AHTR2CHTR2B
SCHEMBL28260280 0.76 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3HTR2A

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
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
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
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 ADRA1A 2985/4885TSHR 4633/4885P2RX3 4770/4885
US-20150203510-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADRA1A 2985/4885TSHR 4633/4885P2RX3 4770/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ADRA1A 2985/4885TSHR 4633/4885P2RX3 4770/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADRA1A 2985/4885TSHR 4633/4885P2RX3 4770/4885
US-20130123231-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADRA1A 2985/4885TSHR 4633/4885P2RX3 4770/4885
US-20160297834-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ADRA1A 2985/4885TSHR 4633/4885P2RX3 4770/4885

“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.