SCHEMBL3185692

SCHEMBL3185692

CCCC(O)(CCC)c1cccc(C(O)CCNC(=O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
PNMT P11086 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL10279346 0.88 PNMT (0.40) PNMTALDH1A1POLB
SCHEMBL10237441 0.81 OPRK1 (0.36) CNR1CNR2EPHX1MTNR1AMTNR1B
SCHEMBL610037 0.81 OPRK1 (0.36) CNR1CNR2EPHX1MTNR1AMTNR1B
SCHEMBL610036 0.81 OPRK1 (0.36) CNR1CNR2EPHX1MTNR1AMTNR1B
SCHEMBL613502 0.81 OPRK1 (0.38) CNR1CNR2EPHX1MTNR1AMTNR1B
SCHEMBL236990 0.80 CNR1 (0.35) CNR1CNR2EPHX1MTNR1AMTNR1B
SCHEMBL233636 0.80 ALOX5 (0.33) CNR1CNR2EPHX1MTNR1AMTNR1B
SCHEMBL233409 0.80 ALOX5 (0.33) CNR1CNR2EPHX1MTNR1AMTNR1B
SCHEMBL4177031 0.80 MTNR1A (0.34) CNR1CNR2ALDH1A1EPHX1MTNR1A
SCHEMBL4177035 0.80 MTNR1A (0.34) CNR1CNR2ALDH1A1EPHX1MTNR1A

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
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US disclosed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
US-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-17 US disclosed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 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 (4 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-20130018077-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CNR1 2081/4885CNR2 1946/4885PNMT 2981/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C CNR1 2081/4885CNR2 1946/4885PNMT 2981/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CNR1 2081/4885CNR2 1946/4885PNMT 2981/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C CNR1 2081/4885CNR2 1946/4885PNMT 2981/4885

“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.