SCHEMBL3199271

SCHEMBL3199271

O=C1c2ccccc2C(=O)N1CC[C@@H](O)c1cccc(COc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.49
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP13 P45452 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP3 P42574 1/20 0.42

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
SCHEMBL2754739 0.82 MMP2 (0.47) GRM5RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL13324052 0.80 ALDH1A1 (0.48) RAB9AMAPTALDH1A1NPSR1
SCHEMBL17735441 0.80 ALDH1A1 (0.48) RAB9AMAPTALDH1A1NPSR1
SCHEMBL9485569 0.79 ALDH1A1 (0.57) RAB9AMAPTSMN1; SMN2MMP2MMP9
SCHEMBL9474505 0.79 ALDH1A1 (0.57) RAB9AMAPTSMN1; SMN2MMP2MMP9
SCHEMBL29236632 0.79 ALDH1A1 (0.57) RAB9AMAPTSMN1; SMN2MMP2MMP9
SCHEMBL20483747 0.79 L3MBTL1 (0.46) RAB9ASMN1; SMN2L3MBTL1MMP2MMP9
SCHEMBL20483748 0.79 L3MBTL1 (0.46) RAB9ASMN1; SMN2L3MBTL1MMP2MMP9
SCHEMBL29454510 0.79 L3MBTL1 (0.46) RAB9ASMN1; SMN2L3MBTL1MMP2MMP9
SCHEMBL17775012 0.77 ALDH1A1 (0.48) MAPTMMP2MMP9KMT2AALDH1A1

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
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-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 (3 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-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C GRM5 4439/4885RAB9A 1593/4885MAPT 129/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C GRM5 4439/4885RAB9A 1593/4885MAPT 129/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C GRM5 4439/4885RAB9A 1593/4885MAPT 129/4885

“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.