SCHEMBL17528173

SCHEMBL17528173

CCCC1CCC(c2cccc(F)c2F)CO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ALOX5 P09917 1/20 0.35
HCRTR2 O43614 6/20 0.34
CALCRL Q16602 3/20 0.31
SLC6A4 P31645 2/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
OPRL1 P41146 1/20 0.31
DRD2 P14416 1/20 0.30
CYP2D6 P10635 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL15255960 0.85 HDAC3 (0.35) ALOX5
SCHEMBL12024427 0.84 ALOX5 (0.36) ALOX5
SCHEMBL9927729 0.82 ALOX5 (0.35) ALOX5OPRL1
SCHEMBL17528174 0.82 ALOX5 (0.40) ALOX5HTR1ADRD2CYP2D6
SCHEMBL9978843 0.80 ALOX5 (0.33) ALOX5
SCHEMBL19818337 0.80 SLC6A2 (0.37) SLC6A4SLC6A2
SCHEMBL9927777 0.80 OPRL1 (0.36) ALOX5OPRL1
SCHEMBL10015812 0.80 ALOX5 (0.33) ALOX5SLC6A4SLC6A2
SCHEMBL17356629 0.80 ALOX5 (0.32) ALOX5
SCHEMBL9979232 0.79 EPHX1 (0.39) ALOX5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2987790-B1 LIQUID CRYSTAL COMPOUND HAVING XANTHENE SKELETON AND EXHIBITING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-08-28 EP disclosed
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-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 HTR2C 1034/4885HTR2B 2847/4885ALOX5 1456/4885

“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.