SCHEMBL4142895

SCHEMBL4142895

CCCCc1[c][nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42

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
SCHEMBL3244780 0.95 CTSV (0.44) KDM4EHSD17B10ALDH1A1HPGDGABRP
SCHEMBL6470274 0.89 CHRNB2 (0.41) KDM4EHSD17B10ALDH1A1HPGDGABRP
SCHEMBL7989623 0.81 SLC6A4 (0.53) ALDH1A1
SCHEMBL640081 0.81 KIF11 (0.39) KDM4EHSD17B10ALDH1A1HPGDGABRP
SCHEMBL16432092 0.78 TAAR1 (0.46) KDM4EHSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL7404828 0.73 HTR2A (0.36) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL5327645 0.73 ALDH1A1 (0.36) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL3381548 0.73 ALDH1A1 (0.36) KDM4EHSD17B10ALDH1A1HPGDCYP3A4
SCHEMBL928608 0.73 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL4912242 0.72 GABRP (0.48) KDM4EHSD17B10ALDH1A1HPGDGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090236975-A1 SILICON-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-09-24 US disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed
EP-0902793-B1 MODIFIED POLYSILOXANE CATALYSTS AND A METHOD OF USING THE SAME EQUISTAR CHEM LP (US) 2002-08-28 EP disclosed
EP-1102633-A4 MONONUCLEAR TRANSITION METAL IMIDO OLEFIN POLYMERIZATION CATALYSTS EQUISTAR CHEM LP (US) 2002-07-03 EP disclosed
EP-1112277-A4 SULFONYL CATALYSTS AND METHOD OF USING THE SAME EQUISTAR CHEM LP (US) 2002-05-29 EP disclosed
EP-1102774-A4 OLEFIN POLYMERIZATION CATALYSTS CONTAINING BENZOTHIAZOLE EQUISTAR CHEM LP (US) 2002-02-27 EP disclosed
EP-1025137-B1 PHOTO-POLYMERIZATION OF VINYL CHLORIDE USING METALLOCENE CATALYSTS OXY VINYLS LP (US) 2001-09-26 EP disclosed
EP-1119409-A1 CYCLIC OLIGOMERIC OXO- AND IMIDO- METAL COMPLEXES AS OLEFIN POLYMERIZATION CATALYSTS Equistar Chemicals, LP (US) 2001-08-01 EP disclosed
EP-1112277-A1 SULFONYL CATALYSTS AND METHOD OF USING THE SAME Equistar Chemicals, LP (US) 2001-07-04 EP disclosed
EP-0896588-B1 CATALYST SYSTEM CONTAINING REACTION PRODUCT OF LIQUID SILICONE AND POLYAMINE EQUISTAR CHEM LP (US) 2001-06-27 EP disclosed
EP-0902793-A1 MODIFIED POLYSILOXANE CATALYSTS AND A METHOD OF USING THE SAME Lyondell Petrochemical Company (US) 1999-03-24 EP disclosed
EP-0896588-A1 CATALYST SYSTEM CONTAINING REACTION PRODUCT OF LIQUID SILICONE AND POLYAMINE Lyondell Petrochemical Company (US) 1999-02-17 EP disclosed
US-5756611-A REACTION PRODUCT OF AN ALCOHOL AND AN ORGANOMETALLIC COMPOUND; METALLOCENES LYONDELL PETROCHEMICAL COMPANY (US) 1998-05-26 US disclosed
US-5744417-A SILYLAMINE POLYMER AND ORGANOMETALLIC COMPOUND LYONDELL PETROCHEMICAL COMPANY (US) 1998-04-28 US disclosed
CN-1173186-A Aza-metallocene polymerization catalyst LYONDELL PETROCHEM (US) 1998-02-11 CN disclosed
WO-1997045459-A1 MODIFIED POLYSILOXANE CATALYSTS AND A METHOD OF USING THE SAME LYONDELL PETROCHEMICAL COMPANY (US) 1997-12-04 WO disclosed
WO-1997041157-A1 CATALYST SYSTEM CONTAINING REACTION PRODUCT OF LIQUID SILICONE AND POLYAMINE LYONDELL PETROCHEMICAL COMPANY (US) 1997-11-06 WO disclosed
EP-0799250-A2 AZAMETALLOCENE POLYMERIZATION CATALYSTS LYONDELL PETROCHEMICAL COMPANY (US) 1997-10-08 EP disclosed
US-5539124-A Polymerization catalysts based on transition metal complexes with ligands containing pyrrolyl ring OCCIDENTAL CHEMICAL CORPORATION (US) 1996-07-23 US disclosed
WO-1996020223-A2 AZAMETALLOCENE POLYMERIZATION CATALYSTS LYONDELL PETROCHEMICAL COMPANY (US) 1996-07-04 WO 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 (1 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-20090236975-A1 SILICON-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE UTILIZING THE SAME ESPL1, EML4, EED KDM4E 799/4885HSD17B10 3774/4885ALDH1A1 2236/4885

“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.