SCHEMBL9135166

SCHEMBL9135166

NN(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
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
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
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

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
SCHEMBL12240751 0.96 ALDH1A1 (0.52) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL12219507 0.89 PRSS1 (0.46) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL9680281 0.85 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL3105664 0.83 ALDH1A1 (0.57) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL10619213 0.83 MAOB (0.49) ALDH1A1MAPTCHRM5CHRM1CHRM3
SCHEMBL9118903 0.81 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL5090872 0.81 NR4A2 (0.53) ALDH1A1KMT2ALMNA
SCHEMBL7288194 0.80 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL22262931 0.80 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL3149010 0.80 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2

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-5378729-A Diamide derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-01-03 US claimed
US-20230167486-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-06-01 US disclosed
US-9169206-B2 Organic semiconductor compound, method for preparing the same, and organic semiconductor composition, and organic semiconductor thin film and element containing the same LUMINANO CO., LTD. (KR) 2015-10-27 US disclosed
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 (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-20230167486-A1 POLYMETHINE COMPOUNDS AND THEIR USE AS FLUORESCENT LABELS POLRMT, FBL, POLM ALDH1A1 2875/4885TDP1 49/4885L3MBTL1 568/4885
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 3959/4885TDP1 2709/4885L3MBTL1 4612/4885

“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.