SCHEMBL20380602

SCHEMBL20380602

Cc1ccc(C(F)(F)Oc2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 8/20 0.31
KDM1A O60341 1/20 0.31
APP P05067 1/20 0.31
PTGS1 P23219 3/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL20380670 0.95 PTGS2 (0.34) AKR1C3AKR1C2PTGS2KDM1AAPP
SCHEMBL20380738 0.91 PTGS2 (0.33) AKR1C3AKR1C2PTGS2KDM1AAPP
SCHEMBL20380648 0.90
SCHEMBL20380579 0.90 GPR3 (0.34) HTR2ASLC6A4KCNH2PTGS2PTGS1
SCHEMBL20380655 0.90 RPS6KA3 (0.32) AKR1C3AKR1C2HTR2ASLC6A4KCNH2
SCHEMBL20380634 0.89 GRM8 (0.32) HTR2ASLC6A4KCNH2GPR3
SCHEMBL20380680 0.89 FFAR4 (0.41)
SCHEMBL20380646 0.89 FFAR4 (0.41)
SCHEMBL18887660 0.89 AKR1C3 (0.33) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL17367976 0.88 PTGS2 (0.38) AKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-17 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-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device PIEZO1, ROCK1, RCC1 AKR1C3 3629/4885AKR1C2 3582/4885HTR2A 2769/4885

“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.