SCHEMBL4270860

SCHEMBL4270860

[CH]1C(C2CCCN2)=Cc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.42
CHRM3 P20309 5/20 0.42
CHRM2 P08172 5/20 0.42
CHRM1 P11229 4/20 0.42
CHRM4 P08173 4/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
TAAR1 Q96RJ0 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL219185 0.69 PTPN1 (0.37) POLB
SCHEMBL27499579 0.69 CHRM5 (0.40) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL167264 0.69 CHRNB2 (0.63) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL21232 0.69 CHRNB2 (0.63) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL170704 0.69 CHRNB2 (0.63) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL27686305 0.68 KDM1A (0.49) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL841177 0.67 CHRNB2 (0.61) CHRM5CHRM3CHRM2CHRM1CHRM4
Ammonia Solution, Strong SCHEMBL3517185 0.67 CHRNB2 (0.61) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL27952288 0.67 CHRNB2 (0.61) CHRM5CHRM3CHRM2CHRM1CHRM4
Hydrochloric Acid SCHEMBL12497423 0.67 CHRNB2 (0.61) CHRM5CHRM3CHRM2CHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538168-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-05-26 US disclosed
US-7446216-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-11-04 US disclosed
EP-1971617-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
EP-1833858-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2007-09-19 EP disclosed
WO-2007070038-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-08-17 US disclosed
WO-2006065906-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (2 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-20060183874-A1 Halogen substituted metallocene compounds for olefin polymerization B2M, CDYL, MLX CHRM5 1219/4885CHRM3 1565/4885CHRM2 778/4885
US-20070135593-A1 Halogen substituted metallocene compounds for olefin polymerization ZKSCAN2, ZRANB2, ZC3H18 CHRM5 2727/4885CHRM3 2372/4885CHRM2 3106/4885

“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.