SCHEMBL17431936

SCHEMBL17431936

CCOc1cccc(OCC)c1-c1ccc(-c2c(OCC)cccc2OCC)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ L3MBTL1 Q9Y468 6/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ APP P05067 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ GRK6 P43250 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL14225407 0.78 ALDH1A1 (0.42) ALDH1A1TDP1HPGDMAPTKDM4E
SCHEMBL17790458 0.76 APP (0.59) ALDH1A1TDP1HPGDMAPTKDM4E
SCHEMBL18165364 0.75 ALDH1A1 (0.41) ALDH1A1TDP1HPGDMAPTKDM4E
SCHEMBL17431908 0.74 APP (0.57) ALDH1A1TDP1HPGDMAPTKDM4E
SCHEMBL2173148 0.72 ALDH1A1 (0.47) ALDH1A1TDP1HPGDMAPTKDM4E
1,2-Diethoxybenzene SCHEMBL29428929 0.71 ALDH1A1 (0.68) ALDH1A1TDP1HPGDMAPTKDM4E
1,2-Diethoxybenzene SCHEMBL578986 0.71 ALDH1A1 (0.68) ALDH1A1TDP1HPGDMAPTKDM4E
SCHEMBL16174477 0.71 PDK2 (0.51) ALDH1A1TDP1HPGDMAPTKDM4E
SCHEMBL14345869 0.71 ALDH1A1 (0.45) ALDH1A1TDP1MAPTKDM4EMEN1
SCHEMBL30503999 0.70 ALDH1A1 (0.54) ALDH1A1TDP1HPGDMAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
US-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
US-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-04-27 — — US disclosed
US-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-04-27 — — US disclosed
WO-2016006204-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2016-01-14 — — 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 (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-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT SCN11A, ECH1, H1-0 ALDH1A1 656/4885TDP1 1046/4885HPGD 3022/4885

“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.

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