SCHEMBL17614879

SCHEMBL17614879

CCCC1CCC(CCC2CCC(C3CCC(c4ccc(OC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
CYP2C9 P11712 1/20 0.35
DRD2 P14416 2/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRL1 P41146 7/20 0.33
USP30 Q70CQ3 1/20 0.33
PDE5A O76074 1/20 0.32
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32
HTR2A P28223 1/20 0.32
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2B P41595 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
SCHEMBL18134229 0.99 ALDH1A1 (0.39) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL8072011 0.99 ALDH1A1 (0.39) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL17614874 0.96 ALDH1A1 (0.40) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL14234681 0.95 ALDH1A1 (0.41) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL19985175 0.91 ACHE (0.34) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL8961759 0.91 FPR2 (0.36) ALDH1A1MAPTHTTCYP2C9DRD2
SCHEMBL17736127 0.90 CNR2 (0.34) ALDH1A1MAPTHTTDRD2MEN1
SCHEMBL22277463 0.90 CYP2C9 (0.35) ALDH1A1MAPTHTTCYP2C9LMNA
SCHEMBL22269486 0.90 CYP2C9 (0.35) ALDH1A1MAPTHTTCYP2C9LMNA
SCHEMBL19985477 0.90 ALDH1A1 (0.38) ALDH1A1MAPTHTTCYP2C9DRD2

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 4 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-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-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING 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 ALDH1A1 2179/4885MAPT 309/4885HTT 2750/4885

“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.