SCHEMBL3769171

SCHEMBL3769171

CC1=C(C)C(C)(C)C([Ti](Cl)(Cl)Oc2ccccc2-c2ccccn2)=C1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 2/20 0.33
HSD17B10 Q99714 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3676430 0.81 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL3811684 0.76 HSD11B1 (0.36) ALDH1A1CYP1A2
SCHEMBL3811681 0.74 BACE1 (0.35) RAB9ASMN1; SMN2MAPT
SCHEMBL3683551 0.70 NPC1 (0.31) NPC1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3611287 0.67 HTR7 (0.35) RAB9ASMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL3681805 0.66 NUDT1 (0.32)
SCHEMBL24677590 0.66 KDM4E (0.50) GRM4ADRA2AADRA2BADRA2CADRA1D
SCHEMBL2039527 0.66 SMN1; SMN2 (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29496935 0.66 SMN1; SMN2 (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7196588 0.65 KDM4E (0.54) GRM4ADRA2AADRA2BADRA2CADRA1D

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
EP-2077270-B1 Transition metal complexes, and catalysts compositions for preparing ethylene homopolymers or copolymers SK INNOVATION CO LTD (KR) 2013-03-20 EP disclosed
US-7847039-B2 transition metal catalyst having a cyclopentadiene derivative and an aryl oxide ligand with a heteroaryl derivative at the ortho-position as polymerization catalysts for high molecular weight ethylene homo- or copolymers; e.g. (dichloro)(pentamethylcyclopentadienyl)(2-thiophen-2'-yl)phenoxy)titanium(IV) SK ENERGY CO., LTD. (KR) 2010-12-07 US disclosed
US-20090176948-A1 Transition metal complexes, and catalysts compositions for preparing ethylene homopolymers or copolymers SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2009-07-09 US disclosed
EP-2077270-A1 Transition metal complexes, and catalysts compositions for preparing ethylene homopolymers or copolymers SK Energy Co., Ltd. (KR) 2009-07-08 EP 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-20090176948-A1 Transition metal complexes, and catalysts compositions for preparing ethylene homopolymers or copolymers ETV6, OXER1, AP1M1 GRM4 888/4885ADRA2A 4606/4885ADRA2B 4546/4885

“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.