SCHEMBL4249887

SCHEMBL4249887

[CH2]CC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPY2R P49146 1/20 0.40
KCNN4 O15554 4/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 2/20 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
SCHEMBL8325767 0.89 KIF11 (0.46) TAAR1MAPK1ALDH1A1KMT2AMEN1
SCHEMBL8329053 0.87 ALDH1A1 (0.56) TAAR1ALDH1A1CYP2D6ESR1ESR2
SCHEMBL8325626 0.87 KCNN4 (0.43) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8327715 0.84 KIF11 (0.50) KMT2A
SCHEMBL8324574 0.84 KIF11 (0.46) TAAR1CYP2C19CYP2D6CYP2C9KCNN4
SCHEMBL8322592 0.82 TSHR (0.46) TAAR1MAPK1KMT2AMEN1CYP3A4
SCHEMBL8328588 0.82 KIF11 (0.45) TAAR1ALDH1A1ALOX15TSHR
SCHEMBL8324979 0.82 TSHR (0.45) TAAR1MAPK1CYP2C19ALDH1A1KMT2A
SCHEMBL5012487 0.80 TAAR1 (0.43) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL8326388 0.80 KIF11 (0.50) TAAR1ALDH1A1ALOX15CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 US claimed
US-7208601-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, LLC 2007-04-24 US claimed
WO-2006093823-A9 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA INC (US) 2006-11-02 WO claimed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US claimed
EP-2589643-B1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME SK CHEMICALS CO LTD (KR) 2017-09-20 EP disclosed
US-9142784-B2 Highly efficient carbazole-based compound, and organic electroluminescence device comprising same SK CHEMICALS CO., LTD. (KR) 2015-09-22 US disclosed
US-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME INDUSTRY ACADEMIC COOPERATION FOUNDATION, DANKOOK UNIVERSITY (KR) 2013-05-16 US disclosed
EP-2589643-A2 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME Industry-Academic Cooperation Foundation, Dankook University (KR) 2013-05-08 EP disclosed
US-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use TRANSTECH PHARMA, INC. 2009-05-14 US disclosed
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
EP-1888566-A1 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS Transtech Pharma, Inc. (US) 2008-02-20 EP disclosed
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use MJALLI ADNAN M 2007-11-01 US disclosed
EP-1682112-A1 USE OF SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF DIABETES AND/OR OBESITY AstraZeneca AB (SE) 2006-07-26 EP disclosed
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TRANSTECH PHARMA, LLC 2005-08-04 US disclosed
WO-2005044250-A1 USE OF SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF DIABETES AND/OR OBESITY ASTRAZENECA AB (SE) 2005-05-19 WO disclosed
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP 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 (4 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-20090124654-A1 Aryl and Heteroaryl Compounds, Compositions, Methods of Use F3, F12, CFH TAAR1 3353/4885MAPK1 3421/4885CYP2C19 103/4885
US-20070254916-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F9, F3 TAAR1 3625/4885MAPK1 4053/4885CYP2C19 35/4885
US-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME PPIP5K2, INPP5B, EZH2 TAAR1 4528/4885MAPK1 2480/4885CYP2C19 374/4885
US-20050171148-A1 Aryl and heteroaryl compounds, compositions, methods of use TFPI, F3, F2 TAAR1 3875/4885MAPK1 4034/4885CYP2C19 46/4885

“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.