SCHEMBL914115

SCHEMBL914115

C=C(C)C(=O)OC(CSc1ccccc1)CSc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
FFAR1 O14842 1/20 0.41
ELANE P08246 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL30445378 0.85 MTNR1A (0.45) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL6753024 0.85 HTR1D (0.39) MTNR1AMTNR1B
SCHEMBL3128725 0.82 MTNR1A (0.39) MTNR1AMTNR1B
SCHEMBL23391660 0.81 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1TSHRHTT
SCHEMBL4192714 0.78 ALDH1A1 (0.36) MTNR1AMTNR1BALDH1A1
SCHEMBL20671290 0.78 MTNR1A (0.46) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL285609 0.78 MTNR1A (0.36) MTNR1AMTNR1BELANEALDH1A1TSHR
Methacrylic Acid SCHEMBL28837351 0.77 MTNR1A (0.43) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL7529592 0.77 MTNR1A (0.43) MTNR1AMTNR1BFFAR1ELANEALDH1A1
SCHEMBL720462 0.77 ELANE (0.35) MTNR1AMTNR1BFFAR1ELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194424-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS CONTAMAC LIMITED (GB) 2016-07-07 US disclosed
US-20160002144-A1 HIGH REFRACTIVE INDEX POLYMER COMPOSITION FOR OPTHALMIC APPLICATIONS CONTAMAC LTD (GB) 2016-01-07 US disclosed
US-9103964-B2 Intraocular lenses essentially free from glistenings OCULENTIS HOLDING B.V. (NL) 2015-08-11 US disclosed
US-8759414-B2 Polymer composition having a high refractive index CORONIS GMBH (DE) 2014-06-24 US disclosed
US-8759414-B2 Polymer composition having a high refractive index CORONIS GMBH (DE) 2014-06-24 US disclosed
US-20130035414-A1 HIGH REFRACTIVE INDEX POLYMER COMPOSITION FOR OPTHALMIC APPLICATIONS CONTAMAC LIMITED (GB) 2013-02-07 US disclosed
EP-1984761-B1 INTRAOCULAR LENSES ESSENTIALLY FREE FROM GLISTENINGS PROCORNEA HOLDING BV (NL) 2011-03-23 EP disclosed
US-20110021733-A1 INTRAOCULAR LENSES ESSENTIALLY FREE FROM GLISTENINGS PROCORNEA HOLDING B.V. 2011-01-27 US disclosed
US-20090247661-A1 POLYMER COMPOSITION HAVING A HIGH REFRACTIVE INDEX CORONIS GMBH (DE) 2009-10-01 US disclosed
US-20090247661-A1 POLYMER COMPOSITION HAVING A HIGH REFRACTIVE INDEX CORONIS GMBH (DE) 2009-10-01 US disclosed
US-20090054978-A1 INTRAOCULAR LENSES ESSENTIALLY FREE FROM GLISTENINGS PROCOMEA HOLDING B.V. 2009-02-26 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-20130035414-A1 HIGH REFRACTIVE INDEX POLYMER COMPOSITION FOR OPTHALMIC APPLICATIONS NR1I3, NR1I2, LBR MTNR1A 538/4885MTNR1B 1016/4885MAOA 3365/4885
US-20160002144-A1 HIGH REFRACTIVE INDEX POLYMER COMPOSITION FOR OPTHALMIC APPLICATIONS NR1I3, NR1I2, LBR MTNR1A 311/4885MTNR1B 692/4885MAOA 3402/4885
US-20160194424-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS NR2E3, NR1I2, NR1I3 MTNR1A 100/4885MTNR1B 161/4885MAOA 2847/4885
US-20090247661-A1 POLYMER COMPOSITION HAVING A HIGH REFRACTIVE INDEX RPIA, PDE6D, PDE6A MTNR1A 2953/4885MTNR1B 3460/4885MAOA 3485/4885

“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.