SCHEMBL3860487

SCHEMBL3860487

COc1ccccc1C#Cc1cccc(C(N)CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.44
FFAR1 O14842 1/20 0.43
CFD P00746 1/20 0.42
TPSB2 P20231 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PAX8 Q06710 5/20 0.35
GRM5 P41594 1/20 0.35
TNF P01375 1/20 0.34
GCK P35557 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
SCHEMBL14658530 0.87 FFAR1 (0.50) PTGESFFAR1MEN1KMT2AL3MBTL1
SCHEMBL3867999 0.82 CFD (0.44) PTGESFFAR1CFDTPSB2
SCHEMBL233639 0.80 PTGES (0.44) PTGESFFAR1MEN1KMT2AL3MBTL1
SCHEMBL3863909 0.78 CFD (0.37) FFAR1CFDTPSB2
SCHEMBL3859065 0.78 CFD (0.48) PTGESCFDTPSB2GRM5
SCHEMBL3864997 0.74 CHRNB4 (0.38) CFDTPSB2
SCHEMBL3870082 0.74 HTR2A (0.46) CFDTPSB2KMT2A
SCHEMBL3860077 0.74 CFD (0.35) CFDTPSB2PTGDR2
SCHEMBL3865711 0.74 CFD (0.45) FFAR1CFDTPSB2KMT2A
SCHEMBL29997548 0.73 GRM5 (0.49) PTGESFFAR1MEN1KMT2AL3MBTL1

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-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO 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-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C PTGES 198/4885FFAR1 1035/4885CFD 180/4885

“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.