SCHEMBL15856477

SCHEMBL15856477

Cc1ccc(C#N)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 3/20 0.54
GAA P10253 2/20 0.54
GALR3 O60755 1/20 0.54
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PIM1 P11309 2/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL18934539 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAGALR3
SCHEMBL22560836 0.88 AR (0.51) ALDH1A1KDM4EHPGDGAAGALR3
SCHEMBL23606173 0.87 AR (0.55) ALDH1A1KDM4EHPGDGAAGALR3
SCHEMBL344240 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAGALR3
SCHEMBL21899538 0.82 TSHR (0.48) ALDH1A1KDM4EHPGDGAAGALR3
SCHEMBL15832013 0.81 AR (0.47) ALDH1A1KDM4EHPGDNPSR1MAPT
SCHEMBL15832012 0.81 CYP19A1 (0.50) ALDH1A1KDM4EGAACYP1A2CYP2C9
SCHEMBL22420407 0.80 CYP11B1 (0.51) ALDH1A1KDM4EHPGDGAAGALR3
SCHEMBL15832016 0.80 CYP2A6 (0.47) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL2775591 0.79 MAP2K4 (0.43) PIM1MAOAMAOBARCYP19A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858949-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-01-02 US disclosed
US-11858949-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-01-02 US disclosed
US-20200392173-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-12-17 US disclosed
US-10806720-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-10-20 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
US-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 US disclosed
US-9818952-B2 Condensed cyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed
CN-102491862-A Method for preparing biaryl compound in pure water UNIV DALIAN TECH 2012-06-13 CN disclosed
CN-101665469-A Heterocyclic compounds useful as Nurrl activators NOVARTIS AG 2010-03-10 CN disclosed
CN-100475795-C Heterocyclic compounds useful as Nurr1 activators NOVARTIS AG (CH) 2009-04-08 CN disclosed
CN-1747942-A Heterocyclic compounds useful as Nurr1 activators NOVARTIS AG (CH) 2006-03-15 CN 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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 ALDH1A1 1544/4885KDM4E 3333/4885HPGD 3411/4885
US-20200392173-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND L1CAM, MEN1, LEF1 ALDH1A1 97/4885KDM4E 3628/4885HPGD 4227/4885
US-11858949-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound L1CAM, MEN1, LEF1 ALDH1A1 97/4885KDM4E 3628/4885HPGD 4227/4885
US-10806720-B2 Selective androgen receptor degrader (SARD) ligands and methods of use thereof AR, BRCA1, FSHR ALDH1A1 2139/4885KDM4E 1050/4885HPGD 2180/4885

“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.