SCHEMBL6301895

SCHEMBL6301895

CC(C)c1ccccc1OCc1c(O[C@@](C)(c2ccccc2)c2ncc[nH]2)ccc2c1CCCC2=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.35
BRD4 O60885 5/20 0.34
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL6300243 0.93 NISCH (0.37) NISCHBRD4LTB4RLTB4R2ADRB2
SCHEMBL6301972 0.91 LTB4R (0.37) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6301258 0.90 NISCH (0.35) NISCHBRD4LTB4RLTB4R2ADRB2
SCHEMBL6302244 0.89 BRD4 (0.35) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6300943 0.89 BRD4 (0.35) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6300168 0.88 LTB4R (0.34) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6307052 0.88 BRD4 (0.37) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6302029 0.88 MAOA (0.32) BRD4LTB4RLTB4R2ADRB2ADRB1
Hydrochloric Acid SCHEMBL6306269 0.88 LTB4R (0.34) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6299837 0.88 ACHE (0.35) BRD4LTB4RLTB4R2MRGPRX4

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-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
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 NISCH 3830/4885BRD4 2102/4885LTB4R 1427/4885

“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.