SCHEMBL2969848

SCHEMBL2969848

CCCCCCCc1cc(Br)c2c(c1)CC=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
CYP3A4 P08684 2/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2A P28223 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
HSPD1 P10809 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
SCHEMBL2971016 1.00 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2971479 1.00 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2971899 1.00 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2967689 1.00 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2965111 0.94 NPC1 (0.36) PTGS2CYP3A4THRATHRBGPR84
SCHEMBL2959830 0.87
SCHEMBL2969776 0.80
SCHEMBL2969338 0.76 ALOX5 (0.34) PTGS2CYP3A4HTR2ATP53
SCHEMBL2965611 0.76 ALOX5 (0.34) PTGS2CYP3A4HTR2ATP53
SCHEMBL2965499 0.76 PTGS2 (0.41) PTGS2CYP3A4THRATHRBGPR84

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 PTGS2 4150/4885CYP3A4 1385/4885THRA 592/4885

“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.