SCHEMBL1578071

SCHEMBL1578071

BrC1=Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP11B2 P19099 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP11B1 P15538 1/20 0.40
TRPA1 O75762 3/20 0.39
ACHE P22303 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM1A O60341 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL29714906 1.00 MAOA (0.42) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL29714904 1.00 MAOA (0.42) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL227232 0.78 KDM1A (0.46) MAOBCYP11B2PTGS2CYP11B1ACHE
SCHEMBL4313253 0.76 TRPA1 (0.36) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL4315755 0.75 TSHR (0.44) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL21694416 0.75 ACHE (0.49) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL7205941 0.74 PTGS2 (0.57) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL30664496 0.74 PTGS2 (0.57) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL7173737 0.73 TDP2 (0.40) TRPA1
SCHEMBL23753579 0.73 MEN1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115379897-A Method for producing biphenylmetallocene complexes SABIC环球技术有限责任公司 2022-11-22 CN claimed
CN-110724047-B Method for preparing aromatic carboxylic acid compound 中国科学院大连化学物理研究所 2020-10-30 CN claimed
CN-110724047-A Method for preparing aromatic carboxylic acid compound 中国科学院大连化学物理研究所 2020-01-24 CN claimed
CN-106715450-B The 2- indenyl metallocene complex of boron bridging for olefinic polymerization SABIC环球技术有限责任公司 2019-10-22 CN claimed
EP-2800753-B1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC IND CORPORATION SABIC (SA) 2018-05-23 EP claimed
CN-107417723-A (2 (substituted-phenyl) indenyl) two (3,5 2 (trifluoromethyl)) phenylphosphine ligands and preparation method thereof 中国科学技术大学 2017-12-01 CN claimed
US-20170260304-A1 BORON-BRIDGED 2-INDENYL METALLOCENE COMPLEXES FOR OLEFIN POLYMERIZATION SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-09-14 US claimed
EP-3191497-A1 BORON-BRIDGED 2-INDENYL METALLOCENE COMPLEXES FOR OLEFIN POLYMERIZATION SABIC Global Technologies B.V. (NL) 2017-07-19 EP claimed
EP-2800754-B1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC IND CORP (SABIC) (SA) 2017-06-28 EP claimed
WO-2016037960-A1 BORON-BRIDGED 2-INDENYL METALLOCENE COMPLEXES FOR OLEFIN POLYMERIZATION SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-03-17 WO claimed
EP-2800753-A1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2014-11-12 EP claimed
CN-104093730-A Process for preparing metallocene complexes SAUDI BASIC IND CORP SABIC 2014-10-08 CN claimed
CN-104080792-A Process for the preparation of metallocene complexes SAUDI BASIC IND CORP 2014-10-01 CN claimed
WO-2014139949-A1 BIS(2-INDENYL) METALLOCENE COMPLEX SAUDI BASIC INDUSTRIES CORPORATION (SA) 2014-09-18 WO claimed
US-20140275455-A1 BIS(2-INDENYL) METALLOCENE COMPLEX SAUDI BASIC INDUSTRIES CORPORATION (SA) 2014-09-18 US claimed
WO-2013091836-A1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2013-06-27 WO claimed
WO-2013091837-A1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2013-06-27 WO claimed
EP-1831146-B1 HYDROXYCARBONYLATION OF ARYL AND VINYL BROMIDES FINORGA (FR) 2008-05-21 EP claimed
EP-1831146-A1 HYDROXYCARBONYLATION OF ARYL AND VINYL BROMIDES Finorga (FR) 2007-09-12 EP claimed
WO-2006066975-A1 HYDROXYCARBONYLATION OF ARYL AND VINYL BROMIDES FINORGA (FR) 2006-06-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170260304-A1 BORON-BRIDGED 2-INDENYL METALLOCENE COMPLEXES FOR OLEFIN POLYMERIZATION B2M, OR10J3, C1S MAOA 2072/4885MAOB 1472/4885CYP11B2 1056/4885

“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.