SCHEMBL3883593

SCHEMBL3883593

CCCCCCCCCCCCCCCCc1ccc(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL20122066 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL1756488 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3076471 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL1304794 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL15791269 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3877421 1.00 KDM4E (0.40) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3357183 0.98 TDP1 (0.41) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL3870601 0.92 KDM4E (0.42) KDM4ETDP1ALDH1A1HSD17B10POLB
SCHEMBL10005497 0.89 KDM4E (0.36) KDM4ETDP1ESR1ADRA2AADORA3
SCHEMBL21980888 0.89 KDM4E (0.36) KDM4ETDP1ESR1ADRA2AADORA3

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
CN-106536528-B Polycyclic polymers based on tetra-heteroaryl indacenodithiophenes and their use 默克专利股份有限公司 2022-02-01 CN disclosed
US-9914742-B2 Tetra-heteroaryl indacenodithiophene-based polycyclic polymers and their use MERCK PATENT GMBH (DE) 2018-03-13 US disclosed
US-9914742-B2 Tetra-heteroaryl indacenodithiophene-based polycyclic polymers and their use MERCK PATENT GMBH (DE) 2018-03-13 US disclosed
US-9914742-B2 Tetra-heteroaryl indacenodithiophene-based polycyclic polymers and their use MERCK PATENT GMBH (DE) 2018-03-13 US disclosed
US-20170210752-A1 TETRA-HETEROARYL INDACENODITHIOPHENE-BASED POLYCYCLIC POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
US-20170210752-A1 TETRA-HETEROARYL INDACENODITHIOPHENE-BASED POLYCYCLIC POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
US-20170210752-A1 TETRA-HETEROARYL INDACENODITHIOPHENE-BASED POLYCYCLIC POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
EP-3174915-A1 TETRA-HETEROARYL INDACENODITHIOPHENE-BASED POLYCYCLIC POLYMERS AND THEIR USE Merck Patent GmbH (DE) 2017-06-07 EP disclosed
CN-106536528-A Polycyclic polymers based on tetra-heteroaryl indacenodithiophenes and their use 默克专利股份有限公司 2017-03-22 CN disclosed
WO-2016015804-A1 TETRA-HETEROARYL INDACENODITHIOPHENE-BASED POLYCYCLIC POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
WO-2016015804-A1 TETRA-HETEROARYL INDACENODITHIOPHENE-BASED POLYCYCLIC POLYMERS AND THEIR USE MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
EP-2138545-B1 USE OF PORPHYRAZINE DERIVATIVE AS SEMICONDUCTOR UNIV HIROSHIMA (JP) 2014-01-08 EP disclosed
EP-2664655-A1 Novel synthesis for 5-alkyl-2,3-dihalogenthiophenes Hiroshima University (JP) 2013-11-20 EP disclosed
EP-2138545-A1 NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, METHOD FOR PRODUCTION OF NOVEL PORPHYRAZINE DERIVATIVE AND INTERMEDIATE THEREOF, AND USE OF PORPHYRAZINE DERIVATIVE Hiroshima University (JP) 2009-12-30 EP disclosed
US-20070287848-A1 Silicon Compound Containi-Electron Conjugated-System Molecule and Process for Producing the Same SHARP KABUSHIKI KAISHA (JP) 2007-12-13 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 (2 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-20070287848-A1 Silicon Compound Containi-Electron Conjugated-System Molecule and Process for Producing the Same SEM1, F12, ESPL1 KDM4E 2479/4885TDP1 3768/4885ESR1 9/4885
US-20170210752-A1 TETRA-HETEROARYL INDACENODITHIOPHENE-BASED POLYCYCLIC POLYMERS AND THEIR USE TERT, ICMT, TEC KDM4E 2373/4885TDP1 1836/4885ESR1 802/4885

“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.