SCHEMBL72281

SCHEMBL72281

Cc1nc(C)c(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.45
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 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
SCHEMBL16806284 0.90 PDE10A (0.47) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL4173266 0.85 KMT2A (0.54) PDE10AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8874663 0.84 PDE10A (0.52) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL31633610 0.84 PDE10A (0.52) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL26967850 0.81 P2RX3 (0.41) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL29798822 0.80 KMT2A (0.46) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL15316166 0.80 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL207579 0.78 NOTUM (0.42) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL829193 0.78 NOTUM (0.42) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL5514920 0.78 ALDH1A1 (0.41) PDE10AALDH1A1SMN1; SMN2MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085200-C Process for producing dimethylamine MITSUBISHI NITTO K K (JP) 2002-05-22 CN claimed
CN-115322995-B Action of DNA methyltransferase Dnmt2 in liver injury repair 华中农业大学 2024-02-13 CN disclosed
CN-115322995-A Role of DNA methyltransferase Dnmt2 in liver injury repair 华中农业大学 2022-11-11 CN disclosed
US-8445533-B2 Andrographolide derivatives to treat viral infections CORNELL RESEARCH FOUNDATION, INC. (US) 2013-05-21 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-1817024-A2 ANDROGRAPHOLIDE DERIVATIVES TO TREAT VIRAL INFECTIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-08-15 EP disclosed
US-20060223785-A1 Andrographolide derivatives to treat viral infections CORNELL RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
WO-2006101538-A2 ANDROGRAPHOLIDE DERIVATIVES TO TREAT VIRAL INFECTIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2006-09-28 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 PDE10A 2818/4885ALDH1A1 1882/4885SMN1; SMN2 4357/4885
US-20060223785-A1 Andrographolide derivatives to treat viral infections HAVCR2, MAVS, EIF2AK2 PDE10A 2673/4885ALDH1A1 897/4885SMN1; SMN2 3651/4885

“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.