SCHEMBL904596

SCHEMBL904596

Fc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HSD17B10 Q99714 5/20 0.72
ALOX12 P18054 3/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
TSHR P16473 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
ALOX15 P16050 2/20 0.72
PTGS1 P23219 1/20 0.72
SLC6A2 P23975 1/20 0.72
MAPK1 P28482 1/20 0.72
PTGS2 P35354 1/20 0.72
HTR2B P41595 1/20 0.72
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 4/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL21563477 0.93 ALDH1A1 (0.62) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL395770 0.88 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL15138258 0.87 HSD17B10 (0.55) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL7896372 0.85 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL13663470 0.85 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL42930 0.85 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL9480038 0.85 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL5116724 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL8465009 0.82 ALDH1A1 (0.93) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL30067131 0.82 ALDH1A1 (0.93) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-04 US claimed
CN-103204797-B The arylamine class luminous organic material of dihydro pentacene and preparation method Jilin Optical and Electronic Materials Co., Ltd. (CN) 2016-01-20 CN claimed
US-20150166604-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof TREVENA, INC. 2015-06-18 US claimed
US-20140357562-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof TREVENA, INC. 2014-12-04 US claimed
US-8853207-B2 Heterocyclic pyrazole compounds, method for preparing the same and use thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-10-07 US claimed
WO-2014159214-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-10-02 WO claimed
US-20130274176-A1 BETA-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF TREVENA, INC. (US) 2013-10-17 US claimed
US-20130274255-A1 HETEROCYCLIC PYRAZOLE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2013-10-17 US claimed
EP-2376101-A2 ß-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF Trevena, Inc. (US) 2011-10-19 EP claimed
US-20100184701-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof TREVENA, INC. 2010-07-22 US claimed
WO-2010077339-A2 β-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF TREVENA, INC. (US) 2010-07-08 WO claimed
US-6355616-B1 FUNGICIDE OLIGOPEOTIDES XOMA (US) TECHNOLOGY LTD. 2002-03-12 US claimed
CN-1102643-A Substituted derivatives of diaminophthalimide CIBA GEIGY AG (CH) 1995-05-17 CN claimed
US-RE50267-E1 Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2025-01-14 US disclosed
US-20250009693-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2025-01-09 US disclosed
US-12128026-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2024-10-29 US disclosed
CN-86105891-A Desinsection ether 1987-02-25 CN disclosed
US-4411904-A Diphenylpropanamines, compositions thereof and use thereof WARNER-LAMBERT COMPANY (US) 1983-10-25 US disclosed
US-4364954-A NEUROLEPTIC AGENT WARNER-LAMBERT COMPANY (US) 1982-12-21 US disclosed
US-4292321-A 1,3,8-Triazaspirodecane-4-ones, pharmaceutical compositions thereof and method of use thereof WARNER-LAMBERT COMPANY (US) 1981-09-29 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-20150166604-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof ARRB1, ADRB1, ADRB3 ALDH1A1 3985/4885HSD17B10 2466/4885ALOX12 3984/4885
US-20130274176-A1 BETA-ARRESTIN EFFECTORS AND COMPOSITIONS AND METHODS OF USE THEREOF ARRB1, ADRB1, ADRB3 ALDH1A1 3985/4885HSD17B10 2466/4885ALOX12 3984/4885
US-12128026-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof AR, AHR, BRDT ALDH1A1 1784/4885HSD17B10 1168/4885ALOX12 778/4885
US-20130274255-A1 HETEROCYCLIC PYRAZOLE COMPOUNDS, METHOD FOR PREPARING THE SAME AND USE THEREOF RET, FLT3, FGFR1 ALDH1A1 1491/4885HSD17B10 2657/4885ALOX12 4587/4885
US-20250009693-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, TBXA2R ALDH1A1 2589/4885HSD17B10 1408/4885ALOX12 72/4885
US-20140357562-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof ARRB1, ADRB1, ADRB3 ALDH1A1 3985/4885HSD17B10 2466/4885ALOX12 3984/4885
US-20100184701-A1 Beta-Arrestin Effectors And Compositions And Methods Of Use Thereof ARRB1, ADRB1, ADRB3 ALDH1A1 3985/4885HSD17B10 2466/4885ALOX12 3984/4885
US-20160031863-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 ALDH1A1 559/4885HSD17B10 177/4885ALOX12 3245/4885

“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.