SCHEMBL12286138

SCHEMBL12286138

CCCCC1CCC(c2ccc(CCC3CCC(c4ccc(N=C=S)cc4)CC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.45
▸ SPHK1 Q9NYA1 13/20 0.44
▸ SPHK2 Q9NRA0 7/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL9347059 0.96 P2RY6 (0.50) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL9347053 0.96 P2RY6 (0.50) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL1275409 0.95 SPHK1 (0.48) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL20893309 0.95 SPHK1 (0.48) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL1275412 0.95 SPHK1 (0.48) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL10347715 0.95 SPHK1 (0.47) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL10477108 0.95 SPHK1 (0.47) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL10477163 0.95 SPHK1 (0.47) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL10347716 0.95 SPHK1 (0.47) P2RY6SPHK1SPHK2MEN1MAPK1
SCHEMBL10347640 0.94 SPHK1 (0.52) P2RY6SPHK1SPHK2MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470496-A1 SPECTACLES WITH REMOTELY ACTIVATABLE DARKENING Lapanik, Valeri I. (BY) 2019-04-17 — — EP disclosed
US-20170051202-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGENIC COMPOUNDS, AND DEVICES FOR HIGH-FREQUENCY THECHNOLOGY SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-23 — — US disclosed
US-8883037-B2 Chiral compounds, cholesteric and ferroelectric liquid crystal compositions comprising these chiral compounds, and liquid crystal displays comprising these liquid crystal compositions TETRAGON LC CHEMIE AG (LI) 2014-11-11 — — US disclosed
US-8883037-B2 Chiral compounds, cholesteric and ferroelectric liquid crystal compositions comprising these chiral compounds, and liquid crystal displays comprising these liquid crystal compositions TETRAGON LC CHEMIE AG (LI) 2014-11-11 — — US disclosed
US-20130228720-A1 CHIRAL COMPOUNDS, CHOLESTERIC AND FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS COMPRISING THESE CHIRAL COMPOUNDS, AND LIQUID CRYSTAL DISPLAYS COMPRISING THESE LIQUID CRYSTAL COMPOSITIONS TETRAGON LC CHEMIE AG (LI) 2013-09-05 — — US disclosed
US-20130228720-A1 CHIRAL COMPOUNDS, CHOLESTERIC AND FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS COMPRISING THESE CHIRAL COMPOUNDS, AND LIQUID CRYSTAL DISPLAYS COMPRISING THESE LIQUID CRYSTAL COMPOSITIONS TETRAGON LC CHEMIE AG (LI) 2013-09-05 — — US disclosed
US-20110233463-A1 CHIRAL COMPOUNDS, CHOLESTERIC AND FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS COMPRISING THESE CHIRAL COMPOUNDS, AND LIQUID CRYSTAL DISPLAYS COMPRISING THESE LIQUID CRYSTAL COMPOSITIONS TETRAGON LC CHEMIE AG 2011-09-29 — — 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-20110233463-A1 CHIRAL COMPOUNDS, CHOLESTERIC AND FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS COMPRISING THESE CHIRAL COMPOUNDS, AND LIQUID CRYSTAL DISPLAYS COMPRISING THESE LIQUID CRYSTAL COMPOSITIONS NR1H2, NR1H3, NR1H4 P2RY6 3562/4885SPHK1 1483/4885SPHK2 2078/4885

“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.

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