SCHEMBL676678

SCHEMBL676678

Cc1ccc(-c2ccc(C)nc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PI4KA P42356 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS2 P35354 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
TDO2 P48775 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PDE10A Q9Y233 2/20 0.41

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
SCHEMBL17051516 0.97 HPGDS (0.54) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15025716 0.92 HPGDS (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17051501 0.89 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL13231657 0.89 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL2757249 0.89 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL17051529 0.89 HPGDS (0.48) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL12359218 0.87 NPC1 (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15498024 0.87 HPGDS (0.47) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL538283 0.87 NPC1 (0.50) HPGDSPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL4582256 0.87 HPGDS (0.47) HPGDSPIK3CDPIK3CAPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118599108-A Cationic polymer with ultrahigh adsorption capacity and preparation and application thereof 中国矿业大学 2024-09-06 CN claimed
CN-118599108-A Cationic polymer with ultrahigh adsorption capacity and preparation and application thereof 中国矿业大学 2024-09-06 CN disclosed
CN-115007218-A Catalyst for olefin hydroformylation reaction and preparation method and application thereof 山东新和成药业有限公司 2022-09-06 CN disclosed
US-20200131204-A1 SILICON-CONTAINING ELECTRON TRANSPORTING MATERIAL AND ITS APPLICATION Beijing Summer Sprout Technology Co., Ltd. (CN) 2020-04-30 US disclosed
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
WO-2019194209-A1 INK COMPOSITION, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT コニカミノルタ株式会社 2019-10-10 WO disclosed
US-20190292224-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2019-09-26 US disclosed
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
EP-3432904-A2 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2019-01-30 EP disclosed
CN-108602894-A Oxyntomodulin analogs and its preparation and application 纽约州立大学研究基金会 2018-09-28 CN disclosed
US-20080020208-A1 Conducting polymer composition, conductive film formed using the conducting polymer composition, and electronic device including the conductive film SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2008-01-24 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070187675-A1 Organic light emitting device SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2007-08-16 US disclosed
US-20070176174-A1 Conducting polymer composition and organic optoelectronic device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-08-02 US disclosed
US-20070173633-A1 Electroluminescent polymer and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-07-26 US disclosed
US-20070173633-A1 Electroluminescent polymer and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-07-26 US disclosed
US-6051669-A Polymers from certain conjugated organic compounds OFFICE NATIONAL D'ESTUDES ET DE RECHERCHES AEROSPATIALES (ONERA) (FR) 2000-04-18 US disclosed
US-5872255-A Conjugated organic compounds and preparation process OFFICE NATIONAL D'ETUDES ET DE RECHERCHE AEROSPATIALES (ONERA) (FR) 1999-02-16 US disclosed
EP-0834504-A1 Conjugated organic compounds, process for the preparation, materials deriving therefrom, use in electronic, optoelectronic, nonlinear optical and electrooptical devices Office National d'Etudes et de Recherches Aerospatiales "ONERA" (FR) 1998-04-08 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 (5 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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT HPGDS 1205/4885PIK3CD 991/4885PIK3CA 2207/4885
US-20190292224-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 HPGDS 478/4885PIK3CD 4619/4885PIK3CA 4717/4885
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles IL33, TPR, CDC37 HPGDS 478/4885PIK3CD 4619/4885PIK3CA 4717/4885
US-20200131204-A1 SILICON-CONTAINING ELECTRON TRANSPORTING MATERIAL AND ITS APPLICATION SLCO4C1, SLC35E1, SLC2A9 HPGDS 4237/4885PIK3CD 3593/4885PIK3CA 2778/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 HPGDS 4507/4885PIK3CD 4266/4885PIK3CA 4738/4885

“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.