SCHEMBL17068636

SCHEMBL17068636

CCCC1CCC(c2ccc(C(=O)Oc3ccc(OCC)c(C(F)F)c3F)cc2)=CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MAPT P10636 6/20 0.34
THRB P10828 3/20 0.34
TP53 P04637 2/20 0.34
VEGFA P15692 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 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
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TAS1R3 Q7RTX0 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
SCHEMBL18006945 0.83 KMT2A (0.34) KMT2AMAPTTHRBTP53VEGFA
SCHEMBL17068522 0.81 VEGFA (0.32) VEGFANPC1CASP3RAB9ASENP8
SCHEMBL17068635 0.77 NPC1 (0.36) KMT2AMAPTNPC1CASP3RAB9A
SCHEMBL17070718 0.77 VEGFA (0.33) VEGFANPC1CASP3RAB9ASENP8
SCHEMBL17068508 0.77 ALDH1A1 (0.33) KMT2AMAPTFFAR4KDM4EALDH1A1
SCHEMBL17068704 0.74 NPC1 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL17068624 0.73 NPC1 (0.35) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL12033003 0.72 MAPT (0.38) KMT2AMAPTTHRBTP53POLB
SCHEMBL13025742 0.72 MAPT (0.46) KMT2AMAPTTHRBTP53VEGFA
SCHEMBL17068630 0.72 NPC1 (0.34) NPC1CASP3RAB9ASENP8NLRP3

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 KMT2A 3086/4885MAPT 1963/4885THRB 4290/4885

“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.