SCHEMBL6306289

SCHEMBL6306289

C[C@](Oc1ccc2c(c1COc1cccc3cccnc13)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.42
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RECQL P46063 1/20 0.34
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLRA3 O75311 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
SCHEMBL6948373 0.91 BRD4 (0.35) BRD4MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6301972 0.88 LTB4R (0.37) BRD4TP53LTB4RLTB4R2MRGPRX4
SCHEMBL6302244 0.87 BRD4 (0.35) BRD4LTB4RLTB4R2MRGPRX4ADRB2
SCHEMBL6300943 0.87 BRD4 (0.35) BRD4LTB4RLTB4R2MRGPRX4ADRB2
SCHEMBL6307052 0.87 BRD4 (0.37) BRD4LTB4RLTB4R2MRGPRX4MEN1
SCHEMBL6299367 0.86 LTB4R (0.35) BRD4LTB4RLTB4R2MRGPRX4ADRB2
SCHEMBL6301280 0.86 HTR1A (0.36) BRD4TP53MAPK1KDM4ELTB4R
SCHEMBL6957144 0.86 MAOA (0.37) BRD4LTB4RLTB4R2
SCHEMBL6301895 0.86 NISCH (0.35) BRD4LTB4RLTB4R2MRGPRX4MEN1
SCHEMBL6301258 0.86 NISCH (0.35) BRD4LTB4RLTB4R2MRGPRX4ADRB2

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
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 BRD4 2102/4885MAPT 3013/4885RAB9A 308/4885

“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.