SCHEMBL17357094

SCHEMBL17357094

CCOc1ccc(OC)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.49
KDM1A O60341 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CALM1 P0DP23 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADRA1A P35348 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GAA P10253 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARD Q03181 1/20 0.44
TSHR P16473 3/20 0.43

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
SCHEMBL2053269 0.88 NQO1 (0.52) TUBB1KDM1AKDM4EL3MBTL1FFAR1
SCHEMBL15295257 0.85 MTNR1A (0.47) TUBB1CA12CA1CA2CA7
SCHEMBL8361639 0.85 L3MBTL1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL18361620 0.85 TUBB1 (0.53) TUBB1CALM1MAPTKDM4EGAA
SCHEMBL12093386 0.85 HTT (0.47) TUBB1CA12CA1CA2CA7
SCHEMBL1510002 0.84 KDM1A (0.45) TUBB1KDM1AMAPTKDM4EL3MBTL1
SCHEMBL16855928 0.83 PRKCZ (0.44) TUBB1CA12CA1CA2CA7
SCHEMBL4630357 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL177773 0.81 KDM1A (0.46) TUBB1KDM1AMAPTKDM4EL3MBTL1
SCHEMBL6349213 0.81 KDM1A (0.46) TUBB1KDM1AMAPTKDM4EL3MBTL1

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-9394272-B2 1,3-dioxane compound having fluorine atom in axial position, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-07-19 US disclosed
US-20150368225-A1 1,3-DIOXANE COMPOUND HAVING FLUORINE ATOM IN AXIAL POSITION, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368225-A1 1,3-DIOXANE COMPOUND HAVING FLUORINE ATOM IN AXIAL POSITION, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, HAX1, RCC1 TUBB1 3546/4885KDM1A 653/4885CA12 739/4885

“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.