SCHEMBL4014173

SCHEMBL4014173

CC1C=C(c2ccccc2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.36
AURKA O14965 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
PTGS2 P35354 1/20 0.35
LMNA P02545 3/20 0.35
USP2 O75604 1/20 0.35
GRM2 Q14416 1/20 0.35
HTT P42858 1/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
HSD17B3 P37058 1/20 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
SCHEMBL30684502 0.75 SIGMAR1 (0.36) BACE1MAOAMAOBMAPTLMNA
SCHEMBL4008383 0.75 BACE1 (0.39) BACE1MAOAMAOBMAPTLMNA
SCHEMBL14366913 0.71 ORAI1 (0.39) BACE1MAOAMAOBMAPTPTGS2
SCHEMBL8753100 0.67 CES2 (0.38) BACE1MAOAMAOBDRD2SIGMAR1
SCHEMBL12038700 0.66
SCHEMBL14223311 0.65 BACE1 (0.38) BACE1MAOAMAOBMAPTPTGS2
SCHEMBL11961374 0.61 ALDH1A1 (0.39) MAPTLMNAUSP2
SCHEMBL11179692 0.61 MAOA (0.33) MAOAMAOBMAPTLMNAUSP2
SCHEMBL221295 0.59 BACE1 (0.65) BACE1MAOAMAOBMAPTLMNA
SCHEMBL5531506 0.59 BACE1 (0.64) BACE1MAOAMAOBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 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 (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-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 BACE1 856/4885MAOA 4305/4885MAOB 3722/4885
US-20100035948-A1 Furanone compounds and lactam analogues thereof FDPS, CYP2C19, MRPL21 BACE1 345/4885MAOA 480/4885MAOB 191/4885

“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.