SCHEMBL6301925

SCHEMBL6301925

COc1ccc2c(c1-c1ccc3ccccc3c1)CCCC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ERN1 O75460 2/20 0.45
HSD17B1 P14061 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
BRD4 O60885 3/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 2/20 0.41
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPK10 P53779 1/20 0.39
ALOX5 P09917 1/20 0.39
GSTP1 P09211 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL3988959 0.83 BRD4 (0.51) ALDH1A1MAPTNPSR1HSD17B1KDM4E
SCHEMBL3990843 0.82 BRD4 (0.45) ALDH1A1MAPTNPSR1HSD17B1KDM4E
SCHEMBL6299599 0.81 HDAC4 (0.46) ALDH1A1MAPTNPSR1HSD17B1KDM4E
SCHEMBL6302072 0.78 BRD4 (0.52) ALDH1A1MAPTNPSR1ERN1HSD17B1
SCHEMBL3964341 0.77 GSTP1 (0.36) ALDH1A1ERN1KDM4EHPGDSLC6A2
SCHEMBL3986153 0.77 KDM4E (0.58) ALDH1A1MAPTHSD17B1KDM4EHPGD
SCHEMBL3968008 0.75 MAOB (0.44) ALDH1A1MAPTNPSR1HPGDBRD4
SCHEMBL3989088 0.74 KDM4E (0.51) ALDH1A1MAPTERN1HSD17B1KDM4E
SCHEMBL3991559 0.74 KDM4E (0.58) ALDH1A1HSD17B1KDM4EHPGDBRD4
SCHEMBL6300071 0.74 MAPKAPK2 (0.32) ALDH1A1MAPTNPSR1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 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 (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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 ALDH1A1 578/4885MAPT 3013/4885NPSR1 1950/4885

“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.