SCHEMBL20380692

SCHEMBL20380692

Cc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)cc3)c(F)c2F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
APP P05067 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
GPR3 P46089 1/20 0.33
GRM5 P41594 1/20 0.30
GRM2 Q14416 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
SCHEMBL2741564 0.93 AKR1C3 (0.39) AKR1C3AKR1C2APPPDE3BPDE3A
SCHEMBL20380670 0.92 PTGS2 (0.34) AKR1C3AKR1C2APPGPR3
SCHEMBL20380602 0.87 AKR1C3 (0.32) AKR1C3AKR1C2APPGPR3
SCHEMBL25808495 0.87 ALOX5AP (0.39) AKR1C3AKR1C2APPPDE3BPDE3A
SCHEMBL17371157 0.86 ALOX5AP (0.38) AKR1C3AKR1C2APPPDE3BPDE3A
SCHEMBL16866174 0.86 AKR1C3 (0.37) AKR1C3AKR1C2APPPDE3BPDE3A
SCHEMBL17365763 0.85 PTGS2 (0.33) AKR1C3AKR1C2APP
SCHEMBL18735548 0.85 AKR1C3 (0.33) AKR1C3AKR1C2APPPDE3BPDE3A
SCHEMBL18887655 0.85 PDE3B (0.33) AKR1C3AKR1C2APPPDE3BPDE3A
SCHEMBL20380675 0.84 RPS6KA3 (0.35) AKR1C3AKR1C2APPPDE3BPDE3A

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 3582/4885APP 1099/4885

“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.