SCHEMBL15040993

SCHEMBL15040993

Cc1cc2c(cc1C)C(C)(C)/C(=C\c1ccccc1)C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.38
MAOA P21397 3/20 0.38
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
AKT3 Q9Y243 2/20 0.38
HPGD P15428 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL15040971 1.00 MAOB (0.38) MAOBMAOAAKT1AKT2AKT3
SCHEMBL3044171 0.81 ACHE (0.42) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL303097 0.81 ACHE (0.42) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL301682 0.81 ACHE (0.42) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL29365202 0.81 ACHE (0.42) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL11871293 0.81 HPGD (0.44) MAOBMAOAHPGDMEN1MAPT
SCHEMBL16746500 0.81 HPGD (0.44) MAOBMAOAHPGDMEN1MAPT
SCHEMBL11871299 0.81 HPGD (0.44) MAOBMAOAHPGDMEN1MAPT
SCHEMBL15040995 0.76 ACHE (0.39) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL12977461 0.70 RARB (0.36) HPGDMEN1MAPTKMT2AL3MBTL1

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-20180071376-A1 TOLEROGENIC NANOPARTICLES FOR TREATING DIABETES MELLITUS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2018-03-15 US disclosed
US-9757378-B2 Methods to modulate acute myeloid leukemia stem/progenitor cell expansion and/or differentiation UNIVERSITE DE MONTREAL (CA) 2017-09-12 US disclosed
US-9593062-B2 Means and methods for treating and/or preventing natural AHR ligand-dependent cancer DEUTSCHLAND KREBSFORSCHUNGSZENTRUM (DE) 2017-03-14 US disclosed
US-20140294860-A1 MEANS AND METHODS FOR TREATING AND/OR PREVENTING NATURAL AHR LIGAND-DEPENDENT CANCER DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-10-02 US disclosed
EP-2023910-B1 AH RECEPTOR ANTAGONISTS SYMRISE AG (DE) 2013-06-19 EP 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-20180071376-A1 TOLEROGENIC NANOPARTICLES FOR TREATING DIABETES MELLITUS IAPP, NFATC1, CD4 MAOB 4813/4885MAOA 4790/4885AKT1 3153/4885
US-20140294860-A1 MEANS AND METHODS FOR TREATING AND/OR PREVENTING NATURAL AHR LIGAND-DEPENDENT CANCER AHR, ARNT, HMOX1 MAOB 323/4885MAOA 269/4885AKT1 3244/4885

“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.