SCHEMBL1812178

SCHEMBL1812178

COc1cc2c(O)cc3c(c2cc1OC)-c1ccc(-c2ccc(C#N)cc2)cc1C3(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.37
PDK2 Q15119 1/20 0.37
KIT P10721 1/20 0.37
ALK Q9UM73 5/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PGR P06401 2/20 0.34
AR P10275 1/20 0.34
ACLY P53396 1/20 0.34
KDM1A O60341 1/20 0.34
PRKDC P78527 1/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34

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
SCHEMBL1009801 0.91 ALK (0.43) ALKAR
SCHEMBL164197 0.86 EGFR (0.38) CHEK1PDK2ACLY
SCHEMBL1010811 0.86 EGFR (0.38) CHEK1PDK2ACLY
SCHEMBL1012466 0.85 FYN (0.37) PDK2KITCYP1A1CYP1B1ALDH1A1
SCHEMBL30125445 0.83 CNR1 (0.35) PDK2
SCHEMBL1010700 0.83 FYN (0.39) CHEK1PDK2ALDH1A1
SCHEMBL8509708 0.83 CNR1 (0.35) PDK2
SCHEMBL1010936 0.82 RARA (0.48) PGR
SCHEMBL1816876 0.82 IDO1 (0.39) PDK2CYP1A1CYP1B1ALDH1A1
SCHEMBL16301320 0.82 SLK (0.38) CHEK1ALKKDM1ASTK10SLK

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 CHEK1 485/4885PDK2 2668/4885KIT 2626/4885

“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.