SCHEMBL2636655

SCHEMBL2636655

CC(C)(O)Cc1cccc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
UNG P13051 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRC P12931 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
FFAR1 O14842 1/20 0.36
NAT1 P18440 1/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HMGCR P04035 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.34
GGPS1 O95749 2/20 0.34

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
SCHEMBL3645563 0.87 MAOA (0.46) MAOAMAOBUNGALDH1A1RAB9A
SCHEMBL30954279 0.86 MAOA (0.41) MAOAMAOBUNGALDH1A1RAB9A
SCHEMBL6841543 0.83 ALDH1A1 (0.41) MAOAMAOBUNGALDH1A1RAB9A
SCHEMBL16334979 0.83 HMGCR (0.43) MAOAMAOBUNGALDH1A1RAB9A
SCHEMBL18714200 0.82 TP53 (0.46) MAOBALDH1A1TDP1HMGCRPTGS2
SCHEMBL25949907 0.82 SLC6A2 (0.52) MAOAMAOBUNGALDH1A1RAB9A
SCHEMBL13509648 0.81 MAOA (0.41) MAOAMAOBUNGALDH1A1RAB9A
SCHEMBL3693386 0.80 ATM (0.39) MAOBGGPS1
SCHEMBL7141602 0.78 MAOA (0.45) MAOAMAOBUNGALDH1A1RAB9A
SCHEMBL3428859 0.78 MAOA (0.38) MAOAMAOBUNGALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
US-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-06 US disclosed
EP-2768826-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-08-27 EP disclosed
EP-2734505-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-05-28 EP disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
WO-2013057101-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-25 WO disclosed
WO-2013057101-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-25 WO disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
WO-2013011033-A1 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 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 (3 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-20140329797-A1 SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS HIF1AN, HIF1A, EGLN3 MAOA 1910/4885MAOB 1502/4885UNG 1519/4885
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A MAOA 2120/4885MAOB 1537/4885UNG 1600/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 MAOA 2176/4885MAOB 1738/4885UNG 347/4885

“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.