SCHEMBL6600311

SCHEMBL6600311

CC(C=O)Cc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
EPHX2 P34913 6/20 0.44
PDE2A O00408 2/20 0.42
CACNA1H O95180 2/20 0.40
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
P2RX7 Q99572 3/20 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
SCHEMBL6611829 0.83 PDE2A (0.47) EPHX2PDE2ACACNA1HHCRTR1HCRTR2
SCHEMBL20061669 0.81 PDE2A (0.44) TP53EPHX2PDE2ACACNA1HHCRTR1
SCHEMBL6696266 0.81 TP53 (0.41) TP53TSHR
SCHEMBL18181376 0.79 PDE2A (0.43) EPHX2PDE2ACACNA1HHCRTR1HCRTR2
SCHEMBL18174185 0.79 EPHX2 (0.50) EPHX2PDE2ACACNA1H
SCHEMBL20128512 0.79 EPHX2 (0.50) EPHX2PDE2ACACNA1HP2RX7
SCHEMBL18174275 0.79 EPHX2 (0.50) EPHX2PDE2ACACNA1H
SCHEMBL6601018 0.78 TP53 (0.49) TP53TSHRP2RX7
SCHEMBL6599643 0.77 TSHR (0.56) TP53TSHREPHX2PDE2A
SCHEMBL20061666 0.77 PDE2A (0.42) EPHX2PDE2ACACNA1HHCRTR1HCRTR2

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-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides KUREHA CORPORATION (JP) 2004-08-05 US disclosed
EP-1375483-A1 6-CHLORO-3-PYRIDYLMETHYLPROPYLAMINE DERIVATIVES, PREPARATION PROCESS THEREOF AND BACTERICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-02 EP 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-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides PGLS, TLR6, UROD TP53 3860/4885TSHR 3142/4885EPHX2 1579/4885

“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.