SCHEMBL683676

SCHEMBL683676

CC(C)C(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
HIF1A Q16665 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
IDO1 P14902 2/20 0.50
TDO2 P48775 2/20 0.50
MAPK1 P28482 2/20 0.50
ADRB2 P07550 1/20 0.48
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 4/20 0.47
ADRA2A P08913 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
LMNA P02545 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL18675613 1.00 TSHR (0.50) TSHRHIF1ATDP1IDO1TDO2
SCHEMBL18675614 1.00 TSHR (0.50) TSHRHIF1ATDP1IDO1TDO2
SCHEMBL683625 0.91 TSHR (0.59) TSHRHIF1ATDP1IDO1TDO2
SCHEMBL15586 0.85 TAAR1 (0.48) TSHRHIF1AADRA2AKDM4ELMNA
SCHEMBL13870614 0.83 ADRB2 (0.56) TSHRHIF1ATDP1IDO1TDO2
SCHEMBL15617669 0.83 SLC6A2 (0.49) TSHRHIF1ATDP1IDO1TDO2
SCHEMBL17069244 0.83 IDO1 (0.47) TSHRIDO1TDO2KDM4ECNR1
SCHEMBL21910185 0.82 TSHR (0.50) TSHRHIF1ATDP1IDO1TDO2
SCHEMBL18682149 0.81 IDO1 (0.54) TSHRHIF1ATDP1IDO1TDO2
SCHEMBL686394 0.81 IDO1 (0.54) TSHRHIF1ATDP1IDO1TDO2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212222-A1 COMPOSITION FOR ANTI-DIABETES AND ANTI-OBESITY COMPRISING NOVEL COMPOUND ANYGEN CO., LTD. (KR) 2023-07-06 US disclosed
US-11071749-B2 Oligonucleotide analogues targeting human LMNA SAREPTA THERAPEUTICS, INC. (US) 2021-07-27 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-20200147119-A1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-05-14 US disclosed
US-10344281-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2019-07-09 US disclosed
US-20180223278-A1 Functionally-Modified Oligonucleotides And Subunits Thereof JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-08-09 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-26 US disclosed
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-26 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase THE TRUSTEES OF COLUMBIA UNIVESITY IN THE CITY OF NEW YORK (US) 2012-02-02 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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 (13 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 TSHR 3198/4885HIF1A 1663/4885TDP1 860/4885
US-20180223278-A1 Functionally-Modified Oligonucleotides And Subunits Thereof RTCB, NSUN3, NSUN2 TSHR 3125/4885HIF1A 3795/4885TDP1 441/4885
US-11071749-B2 Oligonucleotide analogues targeting human LMNA LMNB2, LMNA, LMNB1 TSHR 1863/4885HIF1A 3541/4885TDP1 1439/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 TSHR 3811/4885HIF1A 1387/4885TDP1 307/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 TSHR 436/4885HIF1A 3618/4885TDP1 2555/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF TSHR 1873/4885HIF1A 409/4885TDP1 2972/4885
US-10344281-B2 Functionally-modified oligonucleotides and subunits thereof RTCB, NSUN3, NSUN2 TSHR 3125/4885HIF1A 3795/4885TDP1 441/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 TSHR 3454/4885HIF1A 909/4885TDP1 275/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 TSHR 4827/4885HIF1A 1410/4885TDP1 530/4885
US-20200147119-A1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA LMNB2, LMNA, LMNB1 TSHR 1863/4885HIF1A 3541/4885TDP1 1439/4885
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase EPHX1, EPHX2, ECE1 TSHR 4761/4885HIF1A 470/4885TDP1 3207/4885
US-20230212222-A1 COMPOSITION FOR ANTI-DIABETES AND ANTI-OBESITY COMPRISING NOVEL COMPOUND GPR119, GPR39, FABP4 TSHR 3065/4885HIF1A 3228/4885TDP1 4730/4885
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase EPHX1, EPHX2, ECE1 TSHR 4761/4885HIF1A 470/4885TDP1 3207/4885

“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.