SCHEMBL1815096

SCHEMBL1815096

CCN(CC)c1cc2c3c(c4c(c2cc1OC)OC(c1ccc(OC)cc1)(c1ccc(OCCO)cc1)C=C4)C(C)(C)c1cc(C(F)(F)F)ccc1-3

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL30750473 0.92 PTGDR2 (0.34) ALKPTGDR2
SCHEMBL1815536 0.92 PTGDR2 (0.34) ALKPTGDR2
SCHEMBL3953598 0.87 ALK (0.34) ALK
SCHEMBL3958868 0.86 LMNA (0.36) ALKPTGDR2
SCHEMBL29664172 0.85 RAB9A (0.32)
SCHEMBL3959108 0.85 RAB9A (0.32)
SCHEMBL3956773 0.84 TNIK (0.35)
SCHEMBL3955033 0.84 ALK (0.33) ALK
SCHEMBL4188623 0.82 PAX8 (0.31)
SCHEMBL25605282 0.82 TP53 (0.33)

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 ALK 1877/4885PTGDR2 974/4885

“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.