SCHEMBL4573001

SCHEMBL4573001

COC(=O)c1ccc(CCC(C)=O)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
ALDH1A1 P00352 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 4/20 0.54
TSHR P16473 3/20 0.54
NPC1 O15118 3/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.52
CYP2C19 P33261 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6621432 0.87 HTT (0.67) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL19991262 0.87 HTT (0.67) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL26227594 0.83 HTT (0.71) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL11974036 0.83 HTT (0.71) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL26227589 0.81 HTT (0.69) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL6364915 0.81 TDP1 (0.58) HTTALDH1A1RAB9ANPC1HSP90AA1
SCHEMBL1327551 0.81 HTT (0.73) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL12018996 0.80 HTT (1.00) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL6620261 0.80 HTT (0.58) HTTALDH1A1NPSR1RAB9ATSHR
SCHEMBL19736942 0.80 HTT (0.67) HTTALDH1A1NPSR1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C HTT 2508/4885ALDH1A1 650/4885NPSR1 2999/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C HTT 4559/4885ALDH1A1 645/4885NPSR1 1349/4885

“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.