SCHEMBL17614872

SCHEMBL17614872

CCCC1CCC(C2CCC(C3CCC(c4ccc(OCC)cc4)CC3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NQO1 P15559 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
NLRP3 Q96P20 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ESR2 Q92731 2/20 0.41
DRD2 P14416 1/20 0.39
CACNA2D1 P54289 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL9346492 1.00 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10761184 1.00 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10761190 1.00 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL1894069 0.95 CYP2C9 (0.55) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL4800850 0.95 CYP2C9 (0.55) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10761122 0.91 RAB9A (0.43) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10761128 0.91 RAB9A (0.43) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9260651 0.91 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL17616203 0.91 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9260645 0.91 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAMEN1

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 6 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-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
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
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 CYP2C9 1841/4885MAPT 309/4885ALDH1A1 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.