SCHEMBL598133

SCHEMBL598133

c1ccc2c(c1)c1ccccc1c1cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP2A6 P11509 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
CYP1A2 P05177 3/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 1/20 0.41
GPR3 P46089 3/20 0.39
AHR P35869 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28569273 1.00 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL7638577 1.00 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5482727 0.86 HSD17B10 (0.55) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL415471 0.86 ALDH1A1 (0.55) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL25597 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30977781 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL311118 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL31467394 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1006251 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL29363356 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396533-A1 METHOD FOR PREPARING DEUTERATED ORGANIC COMPOUNDS ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2022-12-15 US claimed
CN-115403435-A Process for preparing deuterated organic compounds 罗门哈斯电子材料韩国有限公司 2022-11-29 CN claimed
US-9505667-B2 Method for preparing deuterated aromatic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2016-11-29 US claimed
US-20160130194-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUNDS LG CHEM, LTD. (KR) 2016-05-12 US claimed
WO-2016073425-A2 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-05-12 WO claimed
US-8841003-B2 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2014-09-23 US claimed
US-7879465-B2 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2011-02-01 US claimed
US-20100308315-A1 ORGANIC ELECTRIC-FIELD LIGHT-EMITTING ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 US claimed
US-20070254186-A1 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2007-11-01 US claimed
US-20050244676-A1 Organic electric-field light-emitting element IDEMITSU KOSAN CO., LTD. (JP) 2005-11-03 US claimed
US-6929871-B2 Aromatic amine containing at least three condensed aromatic rings; excellent luminance at low voltages, e.g., about 10V when an inorganic compound layer is provided. IDEMITSU KOSAN CO., LTD. (JP) 2005-08-16 US claimed
EP-1347031-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2003-09-24 EP claimed
US-20030044643-A1 Aromatic amine containing at least three condensed aromatic rings; excellent luminance at low voltages, e.g., about 10V when an inorganic compound layer is provided. IDEMITSU KOSAN CO., LTD. (JP) 2003-03-06 US claimed
EP-4674238-A1 HOLE-SELECTIVE CONTACT MATERIAL, PHOTOELECTRIC CONVERSION DEVICE AND POLYCYCLIC AROMATIC HYDROCARBON COMPOUND Okinawa Institute of Science and Technology School Corporation (JP) 2026-01-07 EP disclosed
US-12339480-B2 Composition, optically anisotropic film, circularly polarizing plate, display device, compound, and method for producing compound FUJIFILM CORPORATION (JP) 2025-06-24 US disclosed
WO-2024181467-A1 HOLE-SELECTIVE CONTACT MATERIAL, PHOTOELECTRIC CONVERSION DEVICE AND POLYCYCLIC AROMATIC HYDROCARBON COMPOUND OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2024-09-06 WO disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
EP-0039085-A1 Process for increasing the solubility of aromatic systems Langhals, Heinz, Dr. (DE) 1981-11-04 EP disclosed
US-4016247-A Production of carbon shaped articles having high anisotropy KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-04-05 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 (2 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-20220396533-A1 METHOD FOR PREPARING DEUTERATED ORGANIC COMPOUNDS CDK6, CYP2D6, DDX6 HPRT1 548/4885ALDH1A1 2484/4885HSD17B10 1527/4885
US-20160130194-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUNDS AHR, PAH, ARNT HPRT1 139/4885ALDH1A1 2829/4885HSD17B10 1513/4885

“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.