SCHEMBL17528174

SCHEMBL17528174

CCCC1CCC(c2ccc(O)c(F)c2F)CO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
DRD1 P21728 2/20 0.31
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
DRD2 P14416 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL19188302 0.90 ALOX5 (0.34) ALOX5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL12024427 0.86 ALOX5 (0.36) ALOX5
SCHEMBL9927729 0.84 ALOX5 (0.35) ALOX5
SCHEMBL29323675 0.82 ALOX5 (0.35) ALOX5DRD1
SCHEMBL17528173 0.82 HTR2C (0.38) ALOX5HTR1ACYP2D6DRD2
SCHEMBL9927777 0.82 OPRL1 (0.36) ALOX5MAPK1
SCHEMBL9978843 0.82 ALOX5 (0.33) ALOX5DRD1
SCHEMBL19818337 0.82 SLC6A2 (0.37)
SCHEMBL10015812 0.82 ALOX5 (0.33) ALOX5
SCHEMBL9979232 0.81 EPHX1 (0.39) ALOX5DRD1CYP1A2

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 5 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-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 ALOX5 1456/4885ADRA2A 1786/4885ADRA2B 2490/4885

“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.