SCHEMBL6141963

SCHEMBL6141963

CC(C)c1ccc(C[Mg]Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
PYCR1 P32322 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
NPC1 O15118 1/20 0.37
TYR P14679 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL10317547 0.81 CYP2C9 (0.42) RAB9AL3MBTL1NPC1ALDH1A1TSHR
SCHEMBL1141849 0.75 TAAR1 (0.50) IDO1MEN1KMT2AALDH1A1SLC6A2
SCHEMBL558967 0.73 TAAR1 (0.48) IDO1SMN1; SMN2L3MBTL1ALDH1A1MGLL
SCHEMBL560202 0.73 CYP1A2 (0.48) IDO1MEN1KMT2AALDH1A1ACHE
SCHEMBL51783 0.73 IDO1 (0.52) IDO1PYCR1RAB9ASMN1; SMN2MEN1
SCHEMBL10729588 0.72 IDO1 (0.56) IDO1PYCR1RAB9AMEN1KMT2A
SCHEMBL3956146 0.72 IDO1 (0.56) IDO1PYCR1RAB9ASMN1; SMN2MEN1
SCHEMBL30702238 0.71 IDO1 (0.50) IDO1PYCR1RAB9ASMN1; SMN2MEN1
SCHEMBL31496031 0.71 IDO1 (0.50) IDO1PYCR1RAB9ASMN1; SMN2MEN1
SCHEMBL11031906 0.71 IDO1 (0.50) IDO1PYCR1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
EP-2484685-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND Sumitomo Chemical Co., Ltd (JP) 2012-08-08 EP disclosed
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US disclosed
EP-1492749-A1 PREPARATION OF SUBSTITUTED INDENES Basell Polyolefine GmbH (DE) 2005-01-05 EP disclosed
WO-2003084904-A1 PREPARATION OF SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-10-16 WO disclosed
EP-0127672-A1 PROCESS FOR PREPARATION OF ARYLTERPENOID INSECT MATURATION INHIBITORS SCM CORPORATION (US) 1984-12-12 EP disclosed
US-4484007-A Process for preparation of arylterpenoid insect maturation inhibitors SCM CORPORATION (US) 1984-11-20 US disclosed
WO-1984002337-A1 PROCESS FOR PREPARATION OF ARYLTERPENOID INSECT MATURATION INHIBITORS SCM CORP (US) 1984-06-21 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 (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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 IDO1 1185/4885PYCR1 757/4885RAB9A 2832/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 IDO1 2333/4885PYCR1 1480/4885RAB9A 2371/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 IDO1 1530/4885PYCR1 896/4885RAB9A 3958/4885
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND EMC1, CYC1, AP1M1 IDO1 2122/4885PYCR1 459/4885RAB9A 3726/4885

“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.