SCHEMBL1100542

SCHEMBL1100542

COc1cc(CO)c(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 1/20 0.38
CSNK1D P48730 4/20 0.35
PTGS1 P23219 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MC4R P32245 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PKM P14618 1/20 0.33
DHFR P00374 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32

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
SCHEMBL12179711 0.91 CACNA1D (0.38) CACNA1DCSNK1DPTGS1KDM4EMC4R
SCHEMBL1098570 0.86 ALDH1A1 (0.43) KDM4EMEN1KMT2A
SCHEMBL1100175 0.85 KDM4E (0.35) KDM4EMEN1KMT2A
SCHEMBL1100991 0.85 NPC1 (0.44) KDM4EPKMMEN1KMT2A
SCHEMBL9100960 0.84 CACNA1D (0.39) CACNA1DCSNK1DPTGS1KDM4EPKM
SCHEMBL1099556 0.83 NPC1 (0.42) KDM4EMEN1KMT2A
SCHEMBL1098519 0.83 RAB9A (0.46) KDM4E
SCHEMBL1100125 0.82 NPC1 (0.39) KDM4EMEN1KMT2A
SCHEMBL825192 0.82 CSNK1D (0.36) CACNA1DCSNK1DPTGS1MC4RMEN1
SCHEMBL20961133 0.82 MC4R (0.36) CACNA1DCSNK1DPTGS1MC4RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346840-B1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2013-12-25 EP disclosed
US-8262948-B2 Intraocular lenses with combinations of UV absorbers and blue light chromophores NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8232326-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-07-31 US disclosed
US-8232326-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20120142877-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20120142877-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-8153703-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153703-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153703-B2 UV/visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20110266505-A1 INTRAOCULAR LENSES WITH COMBINATIONS OF UV ABSORBERS AND BLUE LIGHT CHROMOPHORES ALCON INC. (CH) 2011-11-03 US disclosed
EP-2346840-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS Alcon, Inc. (CH) 2011-07-27 EP disclosed
WO-2010053917-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-05-14 WO disclosed
US-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-05-06 US disclosed
US-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-05-06 US disclosed
US-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-05-06 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 (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-20100113641-A1 UV/VISIBLE LIGHT ABSORBERS FOR OPHTHALMIC LENS MATERIALS UACA, CRYZ, CRYAA CACNA1D 2651/4885CSNK1D 4202/4885PTGS1 1296/4885

“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.