SCHEMBL6301044

SCHEMBL6301044

C[C@](Oc1ccc2c(c1CSc1ccccc1)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD4 O60885 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRB3 P13945 1/20 0.31
SLC6A4 P31645 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL6306424 0.96 LTB4R (0.33) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6302037 0.95 LTB4R (0.33) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6307490 0.94 LTB4R (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301014 0.94 LTB4R (0.32) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301217 0.94 OPRK1 (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6307578 0.94 LTB4R (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6299856 0.94 LTB4R (0.32) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301031 0.93 KDM4E (0.33) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6301082 0.92 LTB4R (0.34) LTB4RLTB4R2GABRG2GABRB3GABRA5
SCHEMBL6302061 0.92 BRD4 (0.33) 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 2 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

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 LTB4R 1427/4885LTB4R2 2051/4885GABRG2 4570/4885

“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.