SCHEMBL2968633

SCHEMBL2968633

CCCCc1cc(Br)c2c(c1)C=CC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 3/20 0.33
CYP3A4 P08684 1/20 0.33
SKP2 Q13309 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CA2 P00918 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2973486 0.95 PTGS2 (0.40) PTGS2CYP3A4THRATHRBCA2
SCHEMBL2968815 0.94 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2972294 0.94 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2965499 0.94 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2973821 0.94 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2970645 0.94 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2962606 0.90 ALDH1A1 (0.30) CYP3A4
SCHEMBL2973714 0.83
SCHEMBL2965111 0.74 NPC1 (0.36) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL2962200 0.74 TYR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2006065809-A2 HETEROATOM BRIDGED 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 (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 NPC1 4083/4885HPGD 4720/4885MAPK1 3118/4885

“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.