SCHEMBL14701207

SCHEMBL14701207

CCCCN(CC)c1ccc(/C=C(\C#N)C(=O)OCCOC(=O)/C(C#N)=C/c2ccc(N(CC)CCCC)c(C#N)c2)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.51
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL15493907 0.88 ALDH1A1 (0.42) DNM1ALDH1A1PKMHTTPDCD1
SCHEMBL14129152 0.76 MAPT (0.48) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14701171 0.75 ALDH1A1 (0.69) DNM1ALDH1A1PKMHTTMAPT
SCHEMBL12633782 0.74 APP (0.51) DNM1ALDH1A1PKMHTTMAPT
SCHEMBL15491698 0.73 MAPT (0.46) DNM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14701164 0.73 MEN1 (0.66) DNM1ALDH1A1PDCD1CD274MAPT
SCHEMBL21457769 0.73 ALDH1A1 (0.66) DNM1ALDH1A1PKMHTTMAPT
SCHEMBL21457767 0.73 ALDH1A1 (0.66) DNM1ALDH1A1PKMHTTMAPT
SCHEMBL8366503 0.73 ALDH1A1 (0.78) DNM1ALDH1A1PKMHTTPDCD1
SCHEMBL14701201 0.72 SLC16A3 (0.61) DNM1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041062-A1 DYE AND COLORING PHOTOSENSITIVE COMPOSITION ADEKA CORPORATION (JP) 2013-02-14 US disclosed
US-20130041062-A1 DYE AND COLORING PHOTOSENSITIVE COMPOSITION ADEKA CORPORATION (JP) 2013-02-14 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-20130041062-A1 DYE AND COLORING PHOTOSENSITIVE COMPOSITION IK, CRY1, ABCG2 DNM1 4420/4885ALDH1A1 155/4885PKM 685/4885

“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.