SCHEMBL278610

SCHEMBL278610

CCc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 1.00
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
AHR P35869 1/20 0.57
GPR3 P46089 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL278605 0.90 KIF11 (0.81) KIF11ALDH1A1KDM4EAHR
SCHEMBL29864765 0.90 KIF11 (0.81) KIF11ALDH1A1KDM4EAHR
SCHEMBL4812375 0.89 KIF11 (0.79) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL12181003 0.88 KIF11 (0.78) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL6009616 0.85 KIF11 (0.74) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL28521664 0.82 KIF11 (0.70) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL11296266 0.81 KIF11 (0.68) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL1998633 0.81 KIF11 (0.68) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL6009663 0.81 KIF11 (0.68) KIF11ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL28165978 0.81 KIF11 (0.68) KIF11ALDH1A1KDM4EAHRGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11832515-B2 Organic electroluminescent compound, organic electroluminescent material comprising the same, and organic electroluminescent device ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-11-28 US disclosed
CN-116635442-A Composition for forming resist underlayer film 日产化学株式会社 2023-08-22 CN disclosed
CN-111013662-B Organic hydrogen storage liquid hydrogenation or dehydrogenation catalyst with enhanced performance of metal hydride and preparation method thereof 苏州清德氢能源科技有限公司 2023-01-24 CN disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
EP-3760611-A1 COMPOUND, RESIN, COMPOSITION AND FILM-FORMING MATERIAL FOR LITHOGRAPHY USING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-01-06 EP disclosed
CN-111013662-A Organic hydrogen storage liquid hydrogenation or dehydrogenation catalyst with enhanced performance of metal hydride and preparation method thereof 苏州明德新能源技术有限公司 2020-04-17 CN disclosed
US-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
US-10032996-B2 Hetero-cyclic compound and organic light emitting device including the same LG CHEM, LTD. (KR) 2018-07-24 US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 WO disclosed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US disclosed
US-8134143-B2 2,7-carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-03-13 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20070176163-A1 2,7-Carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2007-08-02 US disclosed
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed
US-20060124017-A1 New compounds, a process for their preparation and their use as dyes and pigments CIBA SPECIALTY CHEMICALS CORP. 2006-06-15 US disclosed
CN-1761650-A Compounds, a process for their preparation and their use as dyes and pigments CIBA SC HOLDING AG (CH) 2006-04-19 CN disclosed
US-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 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-10032996-B2 Hetero-cyclic compound and organic light emitting device including the same CRY1, CRY2, PER2 KIF11 3681/4885ALDH1A1 1489/4885KDM4E 2560/4885
US-11832515-B2 Organic electroluminescent compound, organic electroluminescent material comprising the same, and organic electroluminescent device OR10J3, ELAVL1, ICOSLG KIF11 1363/4885ALDH1A1 973/4885KDM4E 806/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 KIF11 4724/4885ALDH1A1 1343/4885KDM4E 872/4885

“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.