SCHEMBL1814871

SCHEMBL1814871

CCCCC1(O)c2cc(OC)ccc2-c2c1cc(O)c1cc(OC)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK2 Q15119 4/20 0.34
NPC1 O15118 2/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
NOTUM Q6P988 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PTPN1 P18031 1/20 0.32
MGLL Q99685 4/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL12424627 0.82 MEN1 (0.34) MEN1GAAKMT2APDK2
SCHEMBL10018179 0.80 GAA (0.38) MEN1GAAKMT2APDK2CNR2
SCHEMBL3947184 0.79 KMT2A (0.42) MEN1GAAKMT2APDK2CYP1A2
SCHEMBL1010429 0.77 ALK (0.40) MEN1GAAKMT2APDK2NPC1
SCHEMBL3920058 0.77 PDK2 (0.36) GAAKMT2APDK2CNR2CNR1
SCHEMBL28687527 0.76 GAA (0.38) MEN1GAAKMT2APDK2NPC1
SCHEMBL25836773 0.76 APP (0.33) MEN1GAAKMT2APDK2NPC1
SCHEMBL26452397 0.75 MEN1 (0.39) MEN1GAAKMT2APDK2KDM4E
SCHEMBL25876918 0.75 PDK2 (0.36) MEN1GAAKMT2APDK2CNR2
SCHEMBL25875881 0.74 PDK2 (0.38) MEN1GAAKMT2APDK2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2494408-B9 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
EP-2494408-B1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL INC (US) 2015-04-15 EP disclosed
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 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-20110108781-A1 PHOTOCHROMIC MATERIALS INCENP, SMCHD1, NEDD8 MEN1 1997/4885GAA 2712/4885KMT2A 1139/4885

“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.