SCHEMBL17070646

SCHEMBL17070646

CCOc1ccc(-c2ccc(C3=COC(C)CC3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
ESR1 P03372 1/20 0.33
FPR2 P25090 3/20 0.33
FGFR2 P21802 2/20 0.33
FGFR1 P11362 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
NLRP3 Q96P20 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
KDM1A O60341 2/20 0.31
PTPRC P08575 1/20 0.31
S1PR1 P21453 3/20 0.30
GRIN1 Q05586 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
SCHEMBL18015237 0.91 KDM1A (0.33) ESR1FPR2NPC1KDM1A
SCHEMBL17070649 0.90 KDM1A (0.32) ESR1FPR2KDM1A
SCHEMBL17070702 0.84 KDM1A (0.42) GRM2TP53POLBMAPTKDM1A
SCHEMBL17068704 0.83 NPC1 (0.36) ESR1FPR2FGFR2FGFR1FFAR4
SCHEMBL17068617 0.82 CYP1A2 (0.33) ESR1FPR2FFAR4NPC1CASP3
SCHEMBL17070876 0.80
SCHEMBL17068707 0.79 NPC1 (0.33) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL13000414 0.78 FGFR2 (0.33) ESR1FPR2FGFR2FGFR1FFAR4
SCHEMBL18015192 0.77 FGFR2 (0.34) GRM2FPR2FGFR2FGFR1FFAR4
SCHEMBL17070700 0.77 NOTUM (0.31) FPR2KDM1AS1PR1

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 GRM2 1891/4885ESR1 3856/4885FPR2 1315/4885

“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.