SCHEMBL778458

SCHEMBL778458

O=[C]Oc1cccc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.52
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
PAX8 Q06710 1/20 0.44
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A1 P04798 1/20 0.40
HPGD P15428 3/20 0.39
HIF1A Q16665 2/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL21832135 1.00 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2945 0.88 ALDH1A1 (0.47) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL21832148 0.88 ALDH1A1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL21832146 0.81 GPR84 (0.56) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL446558 0.78 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL779892 0.77 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL21832131 0.76 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1TSHRCYP1A2
SCHEMBL441360 0.76 HPRT1 (0.61) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL4079888 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1TSHRCYP1A2
SCHEMBL301216 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
US-20240027927-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2024-01-25 US disclosed
EP-4310593-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM Business Innovation Corp. (JP) 2024-01-24 EP disclosed
CN-117434803-A Electrophotographic photoreceptor, process cartridge, and image forming apparatus 富士胶片商业创新有限公司 2024-01-23 CN disclosed
US-20240012343-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2024-01-11 US disclosed
EP-4303660-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM Business Innovation Corp. (JP) 2024-01-10 EP disclosed
CN-117369230-A Electrophotographic photoreceptor, process cartridge, and image forming apparatus 富士胶片商业创新有限公司 2024-01-09 CN disclosed
US-20230333493-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-10-19 US disclosed
CN-116813979-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-09-29 CN disclosed
CN-116610011-A Electrophotographic photoreceptor, process cartridge, and image forming apparatus 富士胶片商业创新有限公司 2023-08-18 CN disclosed
US-20060160829-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
US-7026515-B2 Optically active amine derivatives and preparation process therefor MITSUI CHEMICALS, INC. (JP) 2006-04-11 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
EP-1591446-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2005-11-02 EP disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
US-20040030144-A1 Optically active amine derivative and method of synthesis MITSUI CHEMICALS, INC. (JP) 2004-02-12 US disclosed
EP-1340743-A1 OPTICALLY ACTIVE AMINE DERIVATIVE AND METHOD OF SYNTHESIS Mitsui Chemicals, Inc. (JP) 2003-09-03 EP disclosed
US-6162828-A IMMUNOLOGY; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS; BONE DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-19 US disclosed
EP-0820464-A2 CYSTEINE PROTEASE INHIBITOR Takeda Chemical Industries, Ltd. (JP) 1998-01-28 EP disclosed
WO-1996030395-A2 CYSTEINE PROTEASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-03 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 (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-20060160829-A1 N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent GNRHR, KISS1R, FSHR HPRT1 2065/4885ALDH1A1 2600/4885HSD17B10 3047/4885
US-20040030144-A1 Optically active amine derivative and method of synthesis ALDH7A1, AADAT, KMO HPRT1 1336/4885ALDH1A1 84/4885HSD17B10 270/4885

“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.