SCHEMBL17528451

SCHEMBL17528451

COCOc1ccc(C)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.33
KCNN4 O15554 1/20 0.33
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL15547262 0.85 PTPN1 (0.44) PTPN1KCNN4TUBB1
SCHEMBL17527871 0.83 L3MBTL1 (0.40) TUBB1
SCHEMBL30065168 0.83 PTPN1 (0.33) PTPN1MRGPRX4KCNN4TUBB1
SCHEMBL15339920 0.83 PTPN1 (0.40) PTPN1MRGPRX4KCNN4TUBB1
SCHEMBL19617169 0.83 PTPN1 (0.33) PTPN1MRGPRX4KCNN4TUBB1
SCHEMBL28296673 0.82 PTPN1 (0.49) PTPN1MRGPRX4KCNN4
SCHEMBL31566435 0.82 FFAR1 (0.37) MRGPRX4KCNN4TUBB1
SCHEMBL14289248 0.81 L3MBTL1 (0.41) MRGPRX4TUBB1
SCHEMBL13025550 0.80 PTPN1 (0.32) PTPN1MRGPRX4KCNN4
SCHEMBL1509940 0.80 PTPN1 (0.32) PTPN1KCNN4

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-9879182-B2 Liquid crystal compound having xanthene skeleton and exhibiting negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-20160068754-A1 LIQUID CRYSTAL COMPOUND HAVING XANTHENE SKELETON AND EXHIBITING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2016-03-10 US disclosed
US-20160068754-A1 LIQUID CRYSTAL COMPOUND HAVING XANTHENE SKELETON AND EXHIBITING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2016-03-10 US disclosed
EP-2987790-A1 LIQUID CRYSTAL COMPOUND HAVING XANTHENE SKELETON AND EXHIBITING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-02-24 EP 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-20160068754-A1 LIQUID CRYSTAL COMPOUND HAVING XANTHENE SKELETON AND EXHIBITING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, CALCOCO2, CCDC22 PTPN1 2949/4885MRGPRX4 4441/4885KCNN4 1182/4885

“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.