SCHEMBL17614880

SCHEMBL17614880

CCCC1CCC(C2CCC(C(=O)c3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
HTR4 Q13639 2/20 0.39
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM2B Q8NHM5 2/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
HTR2B P41595 2/20 0.35
TP53 P04637 1/20 0.35
CPS1 P31327 1/20 0.35
HTR2A P28223 1/20 0.35
GRM2 Q14416 1/20 0.35
CYP2C9 P11712 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL26044891 0.91 HTT (0.39) ALDH1A1KMT2AMEN1DRD2CYP2C9
SCHEMBL26044893 0.88 CNR1 (0.36) ALDH1A1CYP2C9LMNAHTTMAPT
SCHEMBL26044894 0.87 CCNE2 (0.38) ACHEHTR4ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL17616205 0.86 HTT (0.41) ALDH1A1KMT2AMEN1KDM2BDRD2
SCHEMBL26044895 0.86 CNR1 (0.38) KMT2AMEN1HTR2BCYP2C9LMNA
SCHEMBL6895375 0.85 MEN1 (0.38) ACHEHTR4ALDH1A1KMT2AMEN1
SCHEMBL6895370 0.85 MEN1 (0.38) ACHEHTR4ALDH1A1KMT2AMEN1
SCHEMBL6895366 0.85 MEN1 (0.38) ACHEHTR4ALDH1A1KMT2AMEN1
SCHEMBL6895361 0.85 MEN1 (0.38) ACHEHTR4ALDH1A1KMT2AMEN1
SCHEMBL9562598 0.84 POLB (0.44) ACHEHTR4ALDH1A1KMT2AMEN1

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-9580652-B2 Liquid crystal compound, liquid crystal composition including the same and liquid crystal display including the liquid crystal composition SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160083653-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 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-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING THE LIQUID CRYSTAL COMPOSITION NAP1L1, SLFN12, RCC2 ACHE 4409/4885HTR4 3667/4885ALDH1A1 2179/4885

“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.