SCHEMBL10122740

SCHEMBL10122740

COc1cc(C)c(Br)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR2A P28223 8/20 0.44
HTR2C P28335 3/20 0.44
TAAR1 Q96RJ0 3/20 0.44
HTR2B P41595 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
AXL P30530 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL15031974 0.90 MAPT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2862226 0.87 L3MBTL1 (0.50) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1505362 0.87 MAPT (0.52) TSHRSMN1; SMN2MAPTNPSR1HTR2A
SCHEMBL5859293 0.85 TSHR (0.47) TSHRSMN1; SMN2MAPTNPSR1TAAR1
SCHEMBL12957756 0.85 NQO2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17807469 0.84 AXL (0.46) TSHRSMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL1104878 0.84 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28799442 0.81 POLB (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL680329 0.81 POLB (0.61) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL298224 0.81 POLB (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053391-B Micro-reaction system and method for synthesizing 4-bromo-3-methylanisole by two-phase method 山东道可化学有限公司 2022-06-28 CN disclosed
US-9373792-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-06-21 US disclosed
US-20150372237-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD (JP) 2015-12-24 US disclosed
US-9147847-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-29 US disclosed
US-20150005512-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-01-01 US disclosed
US-8866135-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 US disclosed
US-8796459-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2014-08-05 US disclosed
US-8759525-B2 Process and intermediates for preparing integrase inhibitors Gilhead Sciences, Inc. (US) 2014-06-24 US disclosed
US-20140159005-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IIDEMITSU KOSAN CO., LTD (JP) 2014-06-12 US disclosed
US-8629430-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-14 US disclosed
US-20130253200-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-09-26 US disclosed
US-8440831-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-05-09 US disclosed
US-8324244-B2 Process and intermediates for preparing integrase inhibitors GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20120238758-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-09-20 US disclosed
US-20120138914-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20110160458-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-06-30 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 (8 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-20140159005-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 TSHR 2608/4885SMN1; SMN2 2656/4885GRIN2D 3628/4885
US-20120238758-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB TSHR 4554/4885SMN1; SMN2 3321/4885GRIN2D 3604/4885
US-20150372237-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 TSHR 2608/4885SMN1; SMN2 2656/4885GRIN2D 3628/4885
US-20120138914-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 TSHR 2608/4885SMN1; SMN2 2656/4885GRIN2D 3628/4885
US-20130116437-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB TSHR 4554/4885SMN1; SMN2 3321/4885GRIN2D 3604/4885
US-20150005512-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 TSHR 2608/4885SMN1; SMN2 2656/4885GRIN2D 3628/4885
US-20110160458-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB TSHR 4554/4885SMN1; SMN2 3321/4885GRIN2D 3604/4885
US-20130253200-A1 PROCESS AND INTERMEDIATES FOR PREPARING INTEGRASE INHIBITORS TYMS, TYMP, POLB TSHR 4554/4885SMN1; SMN2 3321/4885GRIN2D 3604/4885

“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.