SCHEMBL1818315

SCHEMBL1818315

COc1ccc(C2(c3ccc(OCCO)cc3)C=Cc3c4c(c5cc(N6CCCCC6)c(OC)cc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR1A P08908 3/20 0.32
HTR7 P34969 3/20 0.32
DRD2 P14416 1/20 0.32
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL29453300 0.97 KCNH2 (0.33) KCNH2HRH3
SCHEMBL1046925 0.97 KCNH2 (0.33) KCNH2HRH3
SCHEMBL13988310 0.93 SLC6A3 (0.31)
SCHEMBL1815191 0.92 CD274 (0.32) MAPT
SCHEMBL29453320 0.91 DRD2 (0.31) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL1044369 0.91 DRD2 (0.31) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26231110 0.90 PDK2 (0.31)
SCHEMBL18099433 0.90 KCNH2 (0.31) KCNH2HRH3
SCHEMBL13988137 0.89 HRH3 (0.31) KCNH2HRH3MAPT
SCHEMBL15315512 0.89 CD274 (0.33) MAPT

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 KCNH2 1281/4885HRH3 1933/4885HTR1A 2771/4885

“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.