SCHEMBL2964209

SCHEMBL2964209

[N]C(c1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TRPA1 O75762 1/20 0.36
ACP3 P15309 2/20 0.35
HTR2A P28223 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL14450112 0.75 TSHR (0.40) TSHRDPP4F2ALDH1A1CTSL
SCHEMBL2397321 0.74 CTSL (0.44) TSHRDPP4F2ALDH1A1CTSL
SCHEMBL2968063 0.74 CYP2D6 (0.39) TSHRDPP4F2ALDH1A1ACP3
SCHEMBL10069117 0.72 ESR1 (0.59) TSHRDPP4F2ALDH1A1ACP3
SCHEMBL536997 0.72 DPP4 (0.41) TSHRDPP4F2ALDH1A1IDO1
SCHEMBL6835370 0.70 DPP4 (0.39) TSHRDPP4F2ALDH1A1IDO1
SCHEMBL7772037 0.70 DPP4 (0.39) TSHRDPP4F2ALDH1A1ACP3
SCHEMBL12797626 0.70 OPRK1 (0.45) TSHRALDH1A1HTR2ATAAR1CTSL
SCHEMBL1421212 0.70 OPRK1 (0.45) TSHRALDH1A1HTR2ATAAR1CTSL
SCHEMBL2968554 0.69

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 2 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

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 TSHR 551/4885DPP4 4425/4885F2 143/4885

“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.