SCHEMBL3540650

SCHEMBL3540650

O=C(O)CCCc1[c]cccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CYP1A2 P05177 2/20 0.49
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FFAR1 O14842 6/20 0.45
KEAP1 Q14145 1/20 0.44

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
SCHEMBL3541108 0.95 MAPT (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2519501 0.93 MAPT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1510129 0.89 KEAP1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL663796 0.80 ALDH1A1 (0.45) SMN1; SMN2MAPTKMT2AALDH1A1HTT
SCHEMBL2528409 0.80 MAOA (0.31)
SCHEMBL3450884 0.80 HTR2A (0.30)
SCHEMBL3543160 0.79 TDP1 (0.36) CYP1A2PPARA
SCHEMBL11863151 0.78 SIGMAR1 (0.32) MAPTRXFP1
SCHEMBL1661479 0.77 LTA4H (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1521437 0.76 AKR1B1 (0.48) MAPTFFAR1KEAP1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20060049052-A1 Ampholytic buffer having high buffering capacity and high conductivity in isoelectric form THE TEXAS A&M UNIVERSITY SYSTEM (US) 2006-03-09 US claimed
WO-2018035281-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS NORTH CAROLINA STATE UNIVERSITY (US) 2018-02-22 WO disclosed
WO-2013062138-A1 COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 WO disclosed
WO-2013027860-A1 COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-28 WO disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-4906662-A Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-03-06 US disclosed
EP-0263229-A1 Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-04-13 EP disclosed
US-4097516-A 5,6-Benzo analogues of prostaglandin E MILES LABORATORIES, INC. (US) 1978-06-27 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 (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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 HDAC3 256/4885HDAC4 1043/4885HDAC1 161/4885
US-20060049052-A1 Ampholytic buffer having high buffering capacity and high conductivity in isoelectric form ALPP, CA2, CA1 HDAC3 1814/4885HDAC4 1313/4885HDAC1 852/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 HDAC3 187/4885HDAC4 895/4885HDAC1 137/4885

“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.