SCHEMBL6301005

SCHEMBL6301005

COC(=O)c1ccccc1SCc1c(O[C@@](C)(c2ccccc2)c2ncc[nH]2)ccc2c1CCCC2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
LTB4R Q15722 3/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
CRBN Q96SW2 1/20 0.34
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
BRD4 O60885 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
ADRB3 P13945 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A4 P31645 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
SCHEMBL6700034 0.93 LTB4R (0.36) L3MBTL1KMT2ALTB4RLTB4R2POLB
SCHEMBL6299781 0.89 LTB4R (0.35) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6299511 0.89 LTB4R (0.34) L3MBTL1LTB4RLTB4R2GABRG2GABRB3
SCHEMBL6299640 0.87 LTB4R (0.36) KMT2ALTB4RLTB4R2BRD4ADRB2
SCHEMBL6306118 0.87 ALDH1A1 (0.39) PKML3MBTL1KMT2ALTB4RLTB4R2
SCHEMBL6301266 0.87 LTB4R (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6300322 0.87 LTB4R (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301044 0.86 LTB4R (0.34) L3MBTL1LTB4RLTB4R2GABRG2GABRB3
SCHEMBL6301082 0.85 LTB4R (0.34) L3MBTL1LTB4RLTB4R2GABRG2GABRB3
SCHEMBL6307578 0.84 LTB4R (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5

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 PKM 3926/4885L3MBTL1 1805/4885KMT2A 3889/4885

“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.