SCHEMBL17068635

SCHEMBL17068635

CCCC1CCC(c2ccc(COc3ccc(OCC)c(F)c3F)cc2)=CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
NLRP3 Q96P20 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM1A O60341 2/20 0.32
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR1A P08908 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 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
SCHEMBL17068624 0.87 NPC1 (0.35) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL17068704 0.86 NPC1 (0.36) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL17068630 0.84 NPC1 (0.34) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL17063626 0.83 NPC1 (0.33) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL17068637 0.81
SCHEMBL17068617 0.80 CYP1A2 (0.33) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL18006850 0.79 KDM4E (0.32) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL17068625 0.78 CTSL (0.33) NPC1RAB9ACASP3SENP8NLRP3
SCHEMBL12032998 0.77 SLC6A2 (0.36) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL17068558 0.77 NPC1 (0.31) NPC1RAB9ACASP3SENP8NLRP3

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-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-9523038-B2 Dihydropyran compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-20 US disclosed
US-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-09-10 US disclosed
US-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-09-10 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-20150252264-A1 DIHYDROPYRAN COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, CNKSR1, DRG1 NPC1 4525/4885RAB9A 673/4885CASP3 1528/4885

“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.