SCHEMBL17356558

SCHEMBL17356558

Cc1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 3/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
PTGS2 P35354 7/20 0.34
PTGS1 P23219 3/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
AR P10275 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
VRK1 Q99986 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM1A O60341 1/20 0.31
ACHE P22303 1/20 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
SCHEMBL17359237 0.98 AKR1C3 (0.34) AKR1C3AKR1C2RAPGEF4PTGS2PTGS1
SCHEMBL17359298 0.90 PTGS2 (0.38) AKR1C3AKR1C2PTGS2PTGS1AKR1B10
SCHEMBL13104726 0.89 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2PTGS1AKR1B10
SCHEMBL16852357 0.85 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2PTGS1AKR1B10
SCHEMBL18134234 0.83 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2PTGS1AKR1B10
SCHEMBL17356575 0.83 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2PTGS1AKR1B10
SCHEMBL18069656 0.82 AKR1C3 (0.42) AKR1C3AKR1C2PTGS2PTGS1AKR1B10
SCHEMBL18069651 0.82 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2AKR1B10AKR1C4
SCHEMBL803253 0.81 PTGS2 (0.38) AKR1C3AKR1C2PTGS2PTGS1ESR2
SCHEMBL17359262 0.81 RPS6KA3 (0.46) PTGS2PTGS1PDE3BPDE3AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040999-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-08-07 US disclosed
US-10040999-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-08-07 US disclosed
US-20170210992-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-07-27 US disclosed
US-20170210992-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-07-27 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 AKR1C3 1766/4885AKR1C2 3393/4885RAPGEF4 2936/4885

“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.