SCHEMBL20967289

SCHEMBL20967289

Fc1cc(C2CCC(C3CCCCC3)CC2)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
EPHX2 P34913 4/20 0.38
PDE2A O00408 8/20 0.36
FFAR4 Q5NUL3 1/20 0.34
PDK2 Q15119 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM1A O60341 2/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL8768349 0.99 EPHX2 (0.39) S1PR1EPHX2PDE2AFFAR4HCRTR1
SCHEMBL12997536 0.89 EPHX2 (0.45) EPHX2PDE2AKDM1A
SCHEMBL8767847 0.89 PDE2A (0.36) S1PR1EPHX2PDE2AHCRTR1HCRTR2
SCHEMBL8767553 0.88 S1PR1 (0.34) S1PR1EPHX2PDE2AFFAR4HCRTR1
SCHEMBL8767562 0.88 S1PR1 (0.34) S1PR1EPHX2PDE2AFFAR4HCRTR1
SCHEMBL8767544 0.88 S1PR1 (0.34) S1PR1EPHX2PDE2AFFAR4HCRTR1
SCHEMBL10001732 0.87 ESR2 (0.38) EPHX2PDE2AFFAR4HCRTR1HCRTR2
SCHEMBL13345610 0.87 EPHX2 (0.38) EPHX2PDE2AFFAR4KDM1A
SCHEMBL19606422 0.87 S1PR1 (0.37) S1PR1EPHX2PDE2AFFAR4
SCHEMBL8767623 0.84 PDE2A (0.38) S1PR1EPHX2PDE2AHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-03-02 US disclosed
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230056437-A1 AZO DYE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-11168257-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2021-11-09 US disclosed
US-11060029-B2 Liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-07-13 US disclosed
US-10982149-B2 Chiral compounds MERCK PATENT GMBH (DE) 2021-04-20 US disclosed
US-10738243-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2020-08-11 US disclosed
US-20190153320-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
US-20190127642-A1 COMPOSITION FOR NANOENCAPSULATION AND NANOCAPSULES COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-05-02 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 (2 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-10982149-B2 Chiral compounds FANCI, COL1A1, LCP1 S1PR1 3616/4885EPHX2 1479/4885PDE2A 1221/4885
US-20230068853-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY CXCR1, PYM1, F11 S1PR1 420/4885EPHX2 3517/4885PDE2A 4447/4885

“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.