SCHEMBL3439573

SCHEMBL3439573

CCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
GRM2 Q14416 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31

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
SCHEMBL3439578 1.00 PDK2 (0.32) PDK2GRM2S1PR1S1PR3
SCHEMBL16592421 0.95 PDK2 (0.34) PDK2GRM2S1PR1S1PR3
SCHEMBL12625449 0.94 S1PR1 (0.33) GRM2S1PR1S1PR3
SCHEMBL3439576 0.94 RARB (0.35) GRM2S1PR1S1PR3
SCHEMBL3439574 0.94 RARB (0.35) GRM2S1PR1S1PR3
SCHEMBL3439575 0.93 PDK2 (0.32) PDK2GRM2S1PR1S1PR3
SCHEMBL12625460 0.93 RARB (0.39) S1PR1S1PR3
SCHEMBL3439577 0.93 RARB (0.39) S1PR1S1PR3
SCHEMBL3439571 0.93 RARB (0.39) S1PR1S1PR3
SCHEMBL15744392 0.92 GRM2 (0.32) PDK2GRM2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 US disclosed
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 US disclosed
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-04-26 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-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CRYAB, CYBA, CCNB1 PDK2 3550/4885GRM2 3583/4885S1PR1 4265/4885

“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.