SCHEMBL6301933

SCHEMBL6301933

C[C@](Oc1ccc2c(c1CCC(=O)O)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.51
LTB4R2 Q9NPC1 12/20 0.51
BLM P54132 1/20 0.36
CYP2D6 P10635 1/20 0.36
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
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
MRGPRX4 Q96LA9 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
AURKA O14965 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
SCHEMBL6306941 0.93 LTB4R (0.43) LTB4RLTB4R2BLMCYP2D6ADRB2
SCHEMBL6306125 0.90 LTB4R (0.47) LTB4RLTB4R2ADRB2ADRB1HTR1A
SCHEMBL6306132 0.90 LTB4R (0.47) LTB4RLTB4R2ADRB2ADRB1HTR1A
SCHEMBL6299673 0.90 LTB4R (0.39) LTB4RLTB4R2ADRB2ADRB1HTR1A
SCHEMBL6302034 0.88 BRD4 (0.38) LTB4RLTB4R2BLMCYP2D6ADRB2
SCHEMBL6700648 0.88 LTB4R (0.36) LTB4RLTB4R2ADRB2ADRB1HTR1A
SCHEMBL6307035 0.87 LTB4R (0.37) LTB4RLTB4R2ADRB2ADRB1HTR1A
SCHEMBL6300110 0.87 LTB4R (0.35) LTB4RLTB4R2ADRB2ADRB1HTR1A
SCHEMBL6299367 0.87 LTB4R (0.35) LTB4RLTB4R2CYP2D6ADRB2ADRB1
Bromide SCHEMBL6300825 0.87 LTB4R (0.35) LTB4RLTB4R2ADRB2ADRB1HTR1A

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 3 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

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 2051/4885BLM 4726/4885

“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.