SCHEMBL10043320

SCHEMBL10043320

CCCCCCCCC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(OCCCC)c(F)c5)CC4)CC3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
SPHK1 Q9NYA1 3/20 0.36
CYP2C9 P11712 1/20 0.36
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL13402048 0.99 KDM1A (0.39) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL11031984 0.95 KDM1A (0.41) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL10043131 0.94 SCN9A (0.36) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL10043279 0.94 SCN9A (0.36) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL10723417 0.93 KDM1A (0.41) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL11066516 0.93 THRA (0.42) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL11057493 0.93 THRA (0.42) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL11056988 0.93 THRA (0.42) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL11062830 0.93 THRA (0.42) KDM1ATHRATHRBPDE4APDE4B
SCHEMBL11060243 0.93 THRA (0.42) KDM1ATHRATHRBPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 KDM1A 821/4885THRA 4047/4885THRB 4662/4885

“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.