SCHEMBL4558930

SCHEMBL4558930

CCC(C)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 6/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.53
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 3/20 0.50
AGTR1 P30556 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.47
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47

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
SCHEMBL9717258 0.95 SMN1; SMN2 (0.51) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL10489465 0.88 PGR (0.58) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL2128162 0.88 PGR (0.58) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL24221611 0.86 LMNA (0.48) MAPTALDH1A1LMNAHTTHSD17B10
SCHEMBL9405584 0.85 PDPK1 (0.56) SMN1; SMN2MAPTALDH1A1LMNAHSD17B10
SCHEMBL9325685 0.85 PDPK1 (0.56) SMN1; SMN2MAPTALDH1A1LMNAHSD17B10
SCHEMBL9192033 0.85 CHRM2 (0.51) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL4560389 0.84 KMO (0.53) SMN1; SMN2MAPTL3MBTL1PGRADRA2A
SCHEMBL16186522 0.84 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL27162124 0.84 HAO1 (0.45) ALDH1A1LMNAHTTHSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
JP-2000109439-A PURIFICATION OF BIPHENYL-BASED OPTICALLY ACTIVE COMPOUND ARAKAWA CHEM IND CO LTD 2000-04-18 JP 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 (1 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH SMN1; SMN2 849/4885MAPT 1254/4885L3MBTL1 1098/4885

“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.