SCHEMBL2529599

SCHEMBL2529599

CC(COc1ccccc1)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
CYP2D6 P10635 4/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
SCN4A P35499 2/20 0.42
LTA4H P09960 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9854863 0.79 TSHR (0.58) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL21810947 0.75 LMNA (0.61) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL4861264 0.72 LMNA (0.63) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL3708329 0.72 TSHR (0.59) MAOAIDO1TDO2CYP2C9CYP2C19
SCHEMBL3267172 0.72 LMNA (0.63) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL10456467 0.72 HTT (0.43) MAOAIDO1TDO2CYP2C9CYP2C19
SCHEMBL29573338 0.72 TSHR (0.59) MAOAIDO1TDO2CYP2C9CYP2C19
SCHEMBL17755324 0.72 HTT (0.39) MAOAIDO1TDO2CYP2C9CYP2C19
SCHEMBL97377 0.72 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A
SCHEMBL13385106 0.72 LMNA (0.68) LMNAMAOAPTGS1CYP2D6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890231-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2018-02-13 US disclosed
US-20160264699-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER JAPAN POLYETHYLENE CORPORATION (JP) 2016-09-15 US disclosed
US-9376459-B2 Triarylphosphine or triarylarsine compound, alpha-olefin polymerization catalyst using the compound, ternary copolymer, and production process of alpha-olefin-((meth)acrylic acid)-based copolymer JAPAN POLYETHYLENE CORPORATION (JP) 2016-06-28 US disclosed
US-20110257351-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER JAPAN POLYPROPYLENE CORPORATION (JP) 2011-10-20 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 (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-20110257351-A1 NOVEL TRIARYLPHOSPHINE OR TRIARYLARSINE COMPOUND, ALPHA-OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND, TERNARY COPOLYMER, AND PRODUCTION PROCESS OF ALPHA-OLEFIN -((METH)ACRYLIC ACID)-BASED COPOLYMER AS3MT, ATR, ALK LMNA 4872/4885MAOA 922/4885PTGS1 2637/4885

“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.