SCHEMBL3149263

SCHEMBL3149263

FC(F)(CC(F)(F)[Si](F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DAO P14920 1/20 0.35
PTPN1 P18031 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
KIF11 P52732 2/20 0.32
KCNN4 O15554 2/20 0.32
CNR1 P21554 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSP90AA1 P07900 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
IDH2 P48735 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
SCHEMBL23511279 0.73 ALDH1A1 (0.46) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL12609384 0.70 TSHR (0.42) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL1706355 0.69 TSHR (0.52) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL10415351 0.67 TSHR (0.50) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL14338137 0.67 TSHR (0.50) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL507483 0.67 TSHR (0.50) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL506977 0.67 TAAR1 (0.52) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL6988143 0.67 TSHR (0.50) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL2653057 0.67 TSHR (0.50) TSHRALDH1A1DAOPTPN1CA1
SCHEMBL13440 0.67 TSHR (0.50) TSHRALDH1A1DAOPTPN1CA1

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 7 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-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-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

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-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 TSHR 4116/4885ALDH1A1 2387/4885DAO 4064/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 TSHR 4116/4885ALDH1A1 2387/4885DAO 4064/4885

“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.