SCHEMBL139633

SCHEMBL139633

CCCc1ccccc1[N]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.36
HTR1A P08908 2/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
ADRA2A P08913 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MGLL Q99685 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
DAO P14920 1/20 0.33
AR P10275 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32

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
SCHEMBL2961875 0.86 LIPG (0.47) LIPG
SCHEMBL2971160 0.84 LIPG (0.55) LIPG
SCHEMBL2969852 0.82 LIPG (0.58) LIPG
SCHEMBL29488434 0.81 ADRA2B (0.44) LIPGHTR1AADRA2BADRA2CADRA2A
SCHEMBL142479 0.81 ADRA2B (0.44) LIPGHTR1AADRA2BADRA2CADRA2A
SCHEMBL2966302 0.79 KDM4E (0.35) KDM4EALDH1A1GAAHPGDDAO
SCHEMBL2970283 0.79
Benzene SCHEMBL11786397 0.78 KDM4E (0.44) LIPGHTR1AADRA2BADRA2CADRA2A
SCHEMBL9839840 0.78 ADRA2B (0.43) LIPGHTR1AADRA2BADRA2CADRA2A
Hydrogen Peroxide SCHEMBL29092952 0.76 LIPG (0.45) LIPGHTR1AADRA2BADRA2CADRA2A

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-8513368-B2 Copolymer of olefin and conjugated diene, and process for producing the same MITSUI CHEMICALS, INC. (JP) 2013-08-20 US disclosed
US-20120059135-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. (JP) 2012-03-08 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 LIPG 3839/4885HTR1A 2170/4885ADRA2B 2498/4885

“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.