SCHEMBL1453350

SCHEMBL1453350

FC(F)(F)c1cccc([Zn]Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CES2 O00748 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ IDO1 P14902 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38

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
SCHEMBL31000401 0.84 TSHR (0.54) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL25221658 0.84 TSHR (0.54) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL25276831 0.78 TSHR (0.54) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL62723 0.75 TSHR (0.67) TSHRMAPK1CES2MGLLALDH1A1
Fluoride SCHEMBL30661872 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
Benzene SCHEMBL8568955 0.73 TSHR (0.67) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL30252943 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL28126330 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL30553105 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL5698952 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLALDH1A1

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-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 — — US disclosed
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 — — EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 — — WO disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 TSHR 47/4885MAPK1 2473/4885CES2 1302/4885

“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.

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