SCHEMBL1821732

SCHEMBL1821732

COc1ccc(C2(c3ccc(OCCO)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(-c3ccccc3OC)cc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.34
ALK Q9UM73 1/20 0.33
SYK P43405 3/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
ACACA Q13085 1/20 0.33
PDK2 Q15119 1/20 0.33
FFAR1 O14842 2/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
P2RX3 P56373 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
HTR1A P08908 1/20 0.31
DHODH Q02127 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL1823143 0.93 ALK (0.35) ALKACACAPDK2FFAR1GPR84
SCHEMBL13988246 0.91 ALK (0.40) ALKPDK2GPR84
SCHEMBL2371469 0.90 ALK (0.32) ALKPDK2GPR84HTR1A
SCHEMBL1814650 0.88 ALK (0.32) ALKPDK2GPR84MAPT
SCHEMBL29566073 0.88 ALK (0.32) ALKPDK2GPR84MAPT
SCHEMBL9899542 0.88 CYP1A1 (0.41) SYKGPR84LMNAMAPTKDM4E
SCHEMBL1009814 0.87 FFAR1 (0.33) PTGER4ALKFFAR1GPR84
SCHEMBL26231110 0.87 PDK2 (0.31) ALKPDK2
SCHEMBL9900319 0.86 GAA (0.33) ALKACACAPDK2FFAR1GPR84
SCHEMBL8510608 0.86 MEN1 (0.32) ALKPDK2GPR84LMNAMAPT

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 PTGER4 2130/4885ALK 1877/4885SYK 2299/4885

“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.