SCHEMBL10043358

SCHEMBL10043358

CCCCCC1CCC(c2cc(F)c(C3CCC(C4CCC(c5ccc(OC(F)(F)F)c(F)c5)CC4)CC3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.34
PDE2A O00408 4/20 0.33
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
KDM1A O60341 2/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL8771398 0.95 EPHX2 (0.35) EPHX2PDE2AKDM1ACYP2C9GAA
SCHEMBL8771385 0.95 EPHX2 (0.35) EPHX2PDE2AKDM1ACYP2C9GAA
SCHEMBL8771393 0.95 EPHX2 (0.35) EPHX2PDE2AKDM1ACYP2C9GAA
SCHEMBL10043165 0.94 CYP2C9 (0.36) EPHX2PDE2AKDM1ACYP2C9GAA
SCHEMBL23666202 0.91 EPHX2 (0.35) EPHX2PDE2AHCRTR1HCRTR2KDM1A
SCHEMBL10043357 0.90 OPRL1 (0.35) EPHX2PDE2AHCRTR1HCRTR2KDM1A
SCHEMBL10043163 0.90 OPRL1 (0.35) EPHX2PDE2AHCRTR1HCRTR2KDM1A
SCHEMBL10043087 0.88 KDM1A (0.35) EPHX2HCRTR1HCRTR2KDM1ACYP2C9
SCHEMBL10043359 0.87 MEN1 (0.31) GAAMAPT
SCHEMBL10043164 0.87 MEN1 (0.31) GAAMAPT

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-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 EPHX2 2772/4885PDE2A 2748/4885HCRTR1 1691/4885

“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.