SCHEMBL16098422

SCHEMBL16098422

CCN(CC)c1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.64
▸ TDP1 Q9NUW8 3/20 0.63
▸ HPGD P15428 8/20 0.60
▸ ALDH1A1 P00352 8/20 0.60
▸ KDM4E B2RXH2 7/20 0.60
▸ LMNA P02545 2/20 0.60
▸ RAB9A P51151 1/20 0.59
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ GLA P06280 3/20 0.59
▸ IGLV6-57 P01721 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ ATM Q13315 2/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ MAPT P10636 3/20 0.57

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
SCHEMBL2687125 0.85 ALDH1A1 (0.61) NOD2TDP1HPGDALDH1A1KDM4E
SCHEMBL14437121 0.85 ALDH1A1 (0.64) TDP1HPGDALDH1A1KDM4ELMNA
SCHEMBL3751339 0.84 ALDH1A1 (0.60) NOD2TDP1HPGDALDH1A1KDM4E
SCHEMBL20420743 0.83 ALDH1A1 (0.59) TDP1HPGDALDH1A1KDM4ELMNA
SCHEMBL26804667 0.83 NOD2 (0.79) NOD2TDP1HPGDALDH1A1KDM4E
SCHEMBL3761535 0.81 ALDH1A1 (0.56) NOD2TDP1HPGDALDH1A1KDM4E
SCHEMBL2687253 0.80 ALDH1A1 (0.55) TDP1HPGDALDH1A1KDM4ELMNA
SCHEMBL30956255 0.79 ALDH1A1 (0.68) TDP1HPGDALDH1A1KDM4ELMNA
SCHEMBL14160786 0.79 ALDH1A1 (0.75) TDP1HPGDALDH1A1KDM4ELMNA
SCHEMBL13691929 0.78 NOD2 (0.67) NOD2TDP1HPGDALDH1A1KDM4E

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-10330673-B2 Fluorescent chemical sensor for biological amines THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-06-25 — — US disclosed
US-10330673-B2 Fluorescent chemical sensor for biological amines THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-06-25 — — US disclosed
US-20160274091-A1 A Fluorescent Chemical Sensor for Biological Amines THE CURATORS OF THE UNIVERSITY OF MISSOURI 2016-09-22 — — US disclosed
WO-2014153533-A1 A FLUORESCENT CHEMICAL SENSOR FOR BIOLOGICAL AMINES THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2014-09-25 — — 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-10330673-B2 Fluorescent chemical sensor for biological amines ADRB3, SLC18A1, AOC3 NOD2 3048/4885TDP1 3985/4885HPGD 2586/4885
US-20160274091-A1 A Fluorescent Chemical Sensor for Biological Amines ADRB3, SLC18A1, BRS3 NOD2 3055/4885TDP1 3816/4885HPGD 2659/4885

“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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