SCHEMBL9897733

SCHEMBL9897733

CCCCC[C@H]1CC[C@H](C2CCC(CC(=O)O)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KDM5A P29375 1/20 0.38
KDM7A Q6ZMT4 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
ANPEP P15144 1/20 0.38
ENPEP Q07075 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
SCHEMBL7511417 1.00 MAPT (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL11200347 1.00 MAPT (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL9897732 1.00 MAPT (0.47) MAPTTP53PKMHTTMEN1
Hydrochloric Acid SCHEMBL7511346 0.98 MAPT (0.46) MAPTTP53PKMHTTMEN1
SCHEMBL11190251 0.98 TP53 (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL10846134 0.98 TP53 (0.47) MAPTTP53PKMHTTMEN1
SCHEMBL10951008 0.95 MAPT (0.53) MAPTTP53PKMHTTMEN1
SCHEMBL10951013 0.95 MAPT (0.53) MAPTTP53PKMHTTMEN1
SCHEMBL10846877 0.95 MAPT (0.53) MAPTTP53PKMHTTMEN1
SCHEMBL9899525 0.94 MAPT (0.51) MAPTTP53PKMHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468740-B1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES JNC CORP (JP) 2017-08-02 EP disclosed
US-9663716-B2 Tetrahydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-30 US disclosed
EP-2468740-A1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY ELEMENTS JNC Corporation (JP) 2012-06-27 EP disclosed
US-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
US-4617140-A Bicyclohexyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 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-20120145958-A1 TETRAHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CCND1, CCND2 MAPT 3281/4885TP53 3330/4885PKM 1597/4885

“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.