SCHEMBL10045306

SCHEMBL10045306

Bc1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
ASIC3 Q9UHC3 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
BCL2L1 Q07817 1/20 0.47
CA2 P00918 2/20 0.45
APP P05067 2/20 0.44
AGXT P21549 1/20 0.44
ADRB2 P07550 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 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
SCHEMBL21771177 0.81 ALDH1A1 (0.33) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL10045297 0.74 APP (0.49) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL29732980 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL845603 0.74 APP (0.63) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL734280 0.72 CYP2A6 (0.50) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL10045294 0.70 APP (0.68) CYP2A6ASIC3LOXL2CA2APP
SCHEMBL3149296 0.70 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL21177766 0.70 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL6651277 0.70 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1
SCHEMBL21322484 0.70 CYP2A6 (0.48) CYP2A6ASIC3LOXL2MGLLBCL2L1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145492-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGE PICKUP ELEMENT, AND IMAGE PICKUP APPARATUS CANON KK (JP) 2023-05-11 US disclosed
WO-2021132930-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2021-07-01 WO disclosed
EP-3162806-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2017-05-03 EP disclosed
EP-2906567-A1 AROMATIC AZA-BICYCLIC COMPOUNDS COMPRISING CU, AG, AU, ZN, AL FOR USE IN ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2015-08-19 EP disclosed
WO-2014067598-A1 AROMATIC AZA-BICYCLIC COMPOUNDS COMPRISING CU, AG, AU, ZN, AL FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-05-08 WO disclosed
US-8653258-B2 Compositions for regulating or modulating quorum sensing in bacteria, methods of using the compounds, and methods of regulating or modulating quorum sensing in bacteria GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-02-18 US disclosed
EP-2687530-A1 NITROGEN-CONTAINING AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
US-8120022-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-21 US disclosed
US-8120022-B2 Light emitting device material and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-21 US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2010-07-29 US disclosed
US-7638527-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-12-29 US disclosed
US-7544426-B2 Comprises iridium complexes, coordination compounds; red phosphorescence; high efficiency CANON KABUSHIKI KAISHA (JP) 2009-06-09 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 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 (4 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-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 CYP2A6 137/4885ASIC3 714/4885LOXL2 1677/4885
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 CYP2A6 137/4885ASIC3 714/4885LOXL2 1677/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 CYP2A6 137/4885ASIC3 714/4885LOXL2 1677/4885
US-20100187520-A1 LIGHT EMITTING DEVICE MATERIAL AND LIGHT EMITTING DEVICE LEF1, CRY1, SOD1 CYP2A6 1291/4885ASIC3 3586/4885LOXL2 394/4885

“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.