SCHEMBL1816802

SCHEMBL1816802

COc1cc2c(O)cc3c(c2cc1N1CCOCC1)-c1ccc(-c2ccccc2)cc1C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKDC P78527 4/20 0.39
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FYN P06241 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL1816275 0.92 KDM4E (0.36) ALDH1A1TSHRKDM4EHPGDL3MBTL1
SCHEMBL164608 0.89 TSHR (0.41) ALDH1A1GAATSHRKDM4EHPGD
SCHEMBL25875886 0.84 KDM4E (0.37) ALDH1A1GAATSHRKDM4EHPGD
SCHEMBL1010811 0.84 EGFR (0.38) L3MBTL1FYNMEN1KMT2A
SCHEMBL164197 0.84 EGFR (0.38) L3MBTL1FYNMEN1KMT2A
SCHEMBL8511775 0.83 PDK2 (0.39) ALDH1A1TSHRKDM4EHPGDL3MBTL1
SCHEMBL23572575 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1MAPTFYN
SCHEMBL30104203 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1MAPTFYN
SCHEMBL8511374 0.82 MEN1 (0.33) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL1711096 0.82 PRKDC (0.40) ALDH1A1GAATSHRKDM4EHPGD

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 6 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
EP-2494408-A1 PHOTOCHROMIC MATERIALS Transitions Optical, Inc. (US) 2012-09-05 EP disclosed
US-20110108781-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-12 US disclosed
WO-2011053615-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2011-05-05 WO 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 ALDH1A1 229/4885GAA 2712/4885TSHR 4773/4885

“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.