SCHEMBL1930633

SCHEMBL1930633

COc1ccc(C(C#N)C(C#N)c2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CHRM2 P08172 10/20 0.40
CHRM1 P11229 8/20 0.40
CHRM4 P08173 5/20 0.40
CHRM3 P20309 4/20 0.40
CHRM5 P08912 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL12534198 0.90 CHRM2 (0.37) ALDH1A1CHRM2CHRM1CHRM4CHRM3
SCHEMBL813805 0.85 NPC1 (0.46) ALDH1A1NPC1RAB9AGAAHPGD
SCHEMBL21400656 0.80 APP (0.44) NPC1RAB9AHPGD
SCHEMBL1931753 0.80 HPGD (0.40) ALDH1A1CHRM2CHRM1NPC1RAB9A
SCHEMBL11771503 0.78 MEN1 (0.35) ALDH1A1CHRM2CHRM1CHRM4CHRM3
SCHEMBL7231881 0.78 KMT2A (0.40) NPC1RAB9ASLC6A3
SCHEMBL7774785 0.78 KMT2A (0.40) NPC1RAB9ASLC6A3
SCHEMBL15869184 0.77 TNK2 (0.40) NPC1RAB9ASLC6A3
SCHEMBL4390019 0.77 TNK2 (0.40) NPC1RAB9ASLC6A3
SCHEMBL3500438 0.77 TNK2 (0.44) ALDH1A1NPC1RAB9AHPGD

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
US-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MEMPILE INC. (US) 2011-06-09 US disclosed
US-20090161516-A1 METHACRYLATE-BOUND PHOTOISMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MEMPILE INC. (US) 2009-06-25 US disclosed
EP-1888511-A1 A METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES Mempile Inc. (US) 2008-02-20 EP disclosed
WO-2006117791-A1 A METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MEMPILE INC. (US) 2006-11-09 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 (2 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-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MMAB, TET3, KDM2B ALDH1A1 1021/4885CHRM2 3604/4885CHRM1 1956/4885
US-20090161516-A1 METHACRYLATE-BOUND PHOTOISMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MMAB, HMBS, KDM2B ALDH1A1 770/4885CHRM2 4088/4885CHRM1 2532/4885

“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.