SCHEMBL4296451

SCHEMBL4296451

C=C(C)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.65
CASP3 P42574 3/20 0.53
MAPT P10636 4/20 0.51
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 2/20 0.51
EGFR P00533 1/20 0.51
PABPC1 P11940 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MMP14 P50281 1/20 0.51
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
DNMT1 P26358 1/20 0.48
RAD52 P43351 1/20 0.48

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
SCHEMBL4296856 0.96 MAOA (0.57) MAOACASP3MAPTMAPK1TDP1
SCHEMBL4293698 0.90 MEN1 (0.62) MAOACASP3MAPTMAPK1TDP1
SCHEMBL12960466 0.90 MAOA (0.69) MAOACASP3MAPTMAPK1TDP1
SCHEMBL4304874 0.90 MAOA (0.62) MAOACASP3MAPTMAPK1TDP1
SCHEMBL29074195 0.89 MAOA (0.64) MAOACASP3MAPTMAPK1TDP1
SCHEMBL10876455 0.86 MAOA (0.57) MAOACASP3MAPTMAPK1TDP1
SCHEMBL4622432 0.86 CASP3 (0.69) MAOACASP3MAPTMAPK1TDP1
SCHEMBL11425486 0.85 MAOA (0.61) MAOACASP3MAPTMAPK1TDP1
SCHEMBL11420190 0.84 CASP3 (0.59) MAOACASP3MAPTTDP1L3MBTL1
SCHEMBL29358319 0.84 CASP3 (0.71) MAOACASP3MAPK1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163650-A1 POLYMER MATERIAL MENICON CO., LTD. (JP) 2021-06-03 US disclosed
EP-3822296-A1 POLYMER MATERIAL Menicon Co., Ltd. (JP) 2021-05-19 EP disclosed
US-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS MENICON CO., LTD. (JP) 2013-08-08 US disclosed
EP-2581394-A1 IONIC COMPOUND, COMPOSITION, CURED PRODUCT, HYDROGEL, AND OCULAR LENS Menicon Co., Ltd. (JP) 2013-04-17 EP disclosed
EP-1696257-B1 CONTACT LENS MATERIAL MENICON CO LTD (JP) 2012-11-21 EP disclosed
US-20090247662-A1 Contact Lens Material MATSUMOTO MASAHIRO 2009-10-01 US disclosed
EP-1033590-B1 Ocular lens material MENICON CO LTD (JP) 2008-05-07 EP disclosed
US-20070149699-A1 Contact lens material MENICON CO., LTD. (JP) 2007-06-28 US disclosed
EP-1696257-A1 CONTACT LENS MATERIAL MENICON CO., LTD. (JP) 2006-08-30 EP disclosed
US-6329445-B1 Ocular lens material MENICON CO., LTD (JP) 2001-12-11 US disclosed
EP-1033590-A2 Ocular lens material Menicon Co., Ltd. (JP) 2000-09-06 EP disclosed
EP-0947856-A2 Ocular lens material Menicon Co., Ltd. (JP) 1999-10-06 EP 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-20130202551-A1 IONIC COMPOUND, COMPOSITION, CURED MATERIAL, HYDROGEL AND OPHTHALMIC LENS CRYZ, CRYAA, VIL1 MAOA 3740/4885CASP3 1443/4885MAPT 3975/4885

“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.