SCHEMBL12240751

SCHEMBL12240751

NN(C(=O)OCc1ccccc1)c1ccc(N(N)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CTRB1 P17538 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL9135166 0.96 ALDH1A1 (0.52) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL12219507 0.92 PRSS1 (0.46) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL5090872 0.84 NR4A2 (0.53) ALDH1A1KMT2ALMNA
SCHEMBL3105664 0.83 ALDH1A1 (0.57) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL9680281 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL5090322 0.81 L3MBTL1 (0.56) ALDH1A1L3MBTL1LMNA
SCHEMBL550514 0.81 MEN1 (0.47) ALDH1A1MAPTHPGDKMT2ALMNA
SCHEMBL22262931 0.80 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL3149010 0.80 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL10619213 0.80 MAOB (0.49) ALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110253944-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, METHOD FOR PREPARING SAME, AND ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR THIN FILM AND ELEMENT CONTAINING THE SAME LUMINANO CO., LTD. (KR) 2011-10-20 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-20110253944-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, METHOD FOR PREPARING SAME, AND ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR THIN FILM AND ELEMENT CONTAINING THE SAME TYR, FTO, PIEZO1 ALDH1A1 3959/4885MAPT 298/4885HPGD 4836/4885

“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.