SCHEMBL3821152

SCHEMBL3821152

Cc1cccc(C)c1NBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 2/20 0.43
TSHR P16473 3/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 6/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL31370923 0.83 ACHE (0.48) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL38658816 0.81 CYP1A2 (0.32) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL4696476 0.79 TAAR1 (0.47) CYP1A2ALDH1A1CA1CA2CA7
SCHEMBL2093321 0.77 CYP1A2 (0.43) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL2927525 0.75 ALDH1A1 (0.54) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL770140 0.75 CYP1A2 (0.47) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL22280009 0.74 CYP1A2 (0.41) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL1006539 0.73 CYP1A2 (0.45) CYP1A2CYP2A6TSHRACHEALDH1A1
Ethylene SCHEMBL25437125 0.71 TRPA1 (0.55) CYP1A2CYP2A6TSHRACHEALDH1A1
SCHEMBL9644071 0.71 CYP1A2 (0.43) CYP1A2CYP2A6TSHRACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106278898-B A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl -3,5- iodosobenzen ediacetates and preparation method thereof 南开大学 2018-10-30 CN claimed
CN-105566162-B The preparation technology of rilpivirine intermediate 苏州莱克施德药业有限公司 2017-11-03 CN claimed
CN-106278898-A A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl-3,5-iodosobenzen ediacetate and preparation method thereof 南开大学 2017-01-04 CN claimed
CN-102558241-B Preparation of 1,10-phenanthroline complex substituted by propionyl group and application of complex used as catalyst CHINA PETROLEUM & CHEMICAL 2014-11-26 CN claimed
CN-102532201-B Preparation of formoxyl substitutional 1, 10-phenanthroline coordination compound and application of prepared coordination compound as catalyst CHINA PETROLEUM & CHEMICAL 2014-11-05 CN claimed
CN-102558242-B Preparation of isobutyryl substituted 1,10-phenanthroline complex and application of complex serving as catalyst SINOPEC CORP. (CN) 2014-10-22 CN claimed
CN-102558243-B Preparation method of alkyl-substituted 1,10-phenanthroline complex and application of complex prepared thereby as catalyst SINOPEC CORP. (CN) 2014-10-22 CN claimed
CN-103804428-A Preparation method and application of complex CHINA PETROLEUM & CHEMICAL 2014-05-21 CN claimed
CN-110352195-A Catalyst 博里利斯股份公司 2019-10-18 CN disclosed
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
CN-110177798-A Catalyst 博里利斯股份公司 2019-08-27 CN disclosed
CN-106278898-B A kind of peptide condensation reagent 3 ', 5 '-bis trifluoromethyl biphenyl -3,5- iodosobenzen ediacetates and preparation method thereof 南开大学 2018-10-30 CN disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 US disclosed
CN-107799658-A Light-emitting component, light-emitting device, electronic equipment, lighting device and organometallic complex 株式会社半导体能源研究所 2018-03-13 CN disclosed
CN-102775539-B Preparation method of polybutadiene CHANGCHUN APPLIED CHEMISTRY 2014-03-26 CN disclosed
CN-101970572-B Photocurable composition SEKISUI CHEMICAL CO LTD 2014-01-29 CN disclosed
CN-102134214-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2013-05-22 CN disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 WO disclosed
EP-2089384-A2 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-08-19 EP disclosed
WO-2008071587-A2 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 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-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL CYP1A2 2080/4885CYP2A6 2658/4885TSHR 2124/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 CYP1A2 1760/4885CYP2A6 2553/4885TSHR 2300/4885

“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.