SCHEMBL17068617

SCHEMBL17068617

CCCCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)=CO1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ESR1 P03372 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
FPR2 P25090 1/20 0.30

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
SCHEMBL5818099 0.92 CYP1A2 (0.35) CYP1A2
SCHEMBL17068629 0.91 CYP1A2 (0.34) CYP1A2
SCHEMBL17068704 0.91 NPC1 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL17068525 0.86 KDM1A (0.38) CYP1A2NPC1CASP3RAB9ASENP8
SCHEMBL17063626 0.84 NPC1 (0.33) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL17068569 0.83 CYP1A2 (0.30) CYP1A2
SCHEMBL17068572 0.83 CYP1A2 (0.30) CYP1A2
SCHEMBL17070646 0.82 GRM2 (0.34) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL17068635 0.80 NPC1 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL17068527 0.80 CYP1A2 (0.35) CYP1A2

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 2 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-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 CYP1A2 687/4885NPC1 4525/4885CASP3 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.