SCHEMBL3584443

SCHEMBL3584443

CCc1cccc2c(O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
DAO P14920 1/20 0.49
DDO Q99489 1/20 0.49
IDO1 P14902 2/20 0.46
IAPP P10997 2/20 0.46
CDK2 P24941 1/20 0.45
CYP1A2 P05177 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
APP P05067 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
SNCA P37840 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL3955098 0.86 IDO1 (0.59) GABRA1GABRB2IDO1GAA
SCHEMBL3238496 0.85 GABRA1 (0.57) GABRA1GABRB2DAODDOCYP1A2
Ammonia Solution, Strong SCHEMBL28878772 0.85 IDO1 (0.41) GABRA1GABRB2DAODDOIDO1
SCHEMBL5545182 0.83 IAPP (0.47) GABRA1GABRB2IDO1IAPPCYP1A2
SCHEMBL26253878 0.81 GABRA1 (0.54) GABRA1GABRB2DAODDOTSHR
SCHEMBL2987022 0.81 LMNA (0.53) IDO1CDK2CYP1A2HPGDHSD17B10
SCHEMBL3954604 0.81 GABRA1 (0.50) GABRA1GABRB2DAODDOIAPP
SCHEMBL3593817 0.81 GABRA1 (0.56) GABRA1GABRB2DAODDOIAPP
SCHEMBL3990467 0.81 GABRA1 (0.56) GABRA1GABRB2IDO1IAPPCDK2
SCHEMBL5540925 0.79 BID (0.50) IAPPHSD17B10MAPTALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024230707-A1 QUINAZOLINE COMPOUND AND USE THEREOF 上海医药集团股份有限公司 2024-11-14 WO disclosed
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
CN-216024783-U Continuous nitrosation reaction unit of beta naphthol 九江善水科技股份有限公司 2022-03-15 CN disclosed
CN-110006833-A A kind of analyzing detecting method of air amount of nitrogen oxides 苏州华能检测技术有限公司 2019-07-12 CN disclosed
CN-103097426-B Epoxy compounds, solidification compound and cured article thereof DIC CORP. (JP) 2016-03-02 CN disclosed
EP-2816409-B1 Method for forming a resist under layer film and patterning process SHINETSU CHEMICAL CO (JP) 2016-01-06 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2557103-B1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2014-11-26 EP disclosed
US-8519065-B2 Epoxy compound, curable composition, and cured product thereof DIC CORPORATION (JP) 2013-08-27 US disclosed
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF DIC CORPORATION (JP) 2013-06-06 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
WO-2005087225-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US disclosed
US-5780571-A RESIN OBTAINED BY CONDENSATION OF NAPHTHOL AND 4,4*-BIS/CHLOROMETHYL/BIPHENYL, OPTIONALLY REACTED WITH EPICHLOROHYDRIN NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-07-14 US disclosed
EP-0644216-B1 NAPHTHALENE-RING RESIN, RESIN COMPOSITION, AND CURED PRODUCT THEREOF NIPPON KAYAKU KK (JP) 1996-07-17 EP disclosed
EP-0644216-A1 NAPHTHALENE-RING RESIN, RESIN COMPOSITION, AND CURED PRODUCT THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-03-22 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 (3 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GABRA1 692/4885GABRB2 554/4885DAO 1115/4885
US-20130144030-A1 EPOXY COMPOUND, CURABLE COMPOSITION, AND CURED PRODUCT THEREOF HEATR1, EEF1A1, EPN1 GABRA1 2594/4885GABRB2 3513/4885DAO 3251/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 GABRA1 3632/4885GABRB2 2150/4885DAO 4383/4885

“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.