SCHEMBL6301280

SCHEMBL6301280

C[C@](Oc1ccc2c(c1COc1cccc3[nH]ccc13)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.36
LTB4R Q15722 3/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
BRD4 O60885 5/20 0.35
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1B P28222 2/20 0.32
SLC6A4 P31645 2/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
TSHR P16473 2/20 0.32
MCL1 Q07820 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP3A4 P08684 2/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6948373 0.91 BRD4 (0.35) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6301972 0.88 LTB4R (0.37) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6302244 0.87 BRD4 (0.35) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6300943 0.87 BRD4 (0.35) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6307052 0.87 BRD4 (0.37) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6299367 0.86 LTB4R (0.35) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6306289 0.86 BRD4 (0.42) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6301895 0.86 NISCH (0.35) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6301258 0.86 NISCH (0.35) HTR1ALTB4RLTB4R2BRD4MRGPRX4
SCHEMBL6307756 0.85 MAOA (0.36) LTB4RLTB4R2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US claimed
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP claimed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO claimed
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

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 HTR1A 4741/4885LTB4R 1427/4885LTB4R2 2051/4885

“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.