SCHEMBL2970833

SCHEMBL2970833

CCCCOc1[c]cccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
TSHR P16473 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GRM2 Q14416 1/20 0.33
NR5A1 Q13285 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 4/20 0.33
ESR1 P03372 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL2965018 0.91 CA12 (0.33) LTA4HCYP1A2CYP2C19CA12CA1
SCHEMBL2969331 0.83 NQO1 (0.34) LTA4HTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL677482 0.80 CYP1A2 (0.50) LTA4HCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL10841928 0.80 LTA4H (0.39) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL27660963 0.79 L3MBTL1 (0.38) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL2973453 0.79 L3MBTL1 (0.39) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL2971835 0.79 LTA4H (0.38) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL2961110 0.79 LTA4H (0.38) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL11375442 0.77 CYP1A2 (0.43) LTA4HCYP1A2CYP2C9CYP2C19CA12
SCHEMBL2968881 0.77 THRA (0.40) LTA4HCYP1A2CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2010-05-06 US disclosed
US-7709670-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-04 US disclosed
EP-1866322-B1 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2010-02-24 EP disclosed
EP-1866322-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-12-19 EP disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO 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 (3 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-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 LTA4H 3048/4885CYP1A2 820/4885CYP2C9 1779/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 LTA4H 772/4885CYP1A2 2409/4885CYP2C9 3579/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 LTA4H 3048/4885CYP1A2 820/4885CYP2C9 1779/4885

“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.