SCHEMBL6300176

SCHEMBL6300176

C[C@](Oc1ccc2c(c1Oc1ccccc1)CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.36
BRD2 P25440 1/20 0.33
SMARCA2 P51531 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
CREBBP Q92793 1/20 0.33
BRWD1 Q9NSI6 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 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
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL6306046 0.86 BRD4 (0.35) BRD4LTB4RLTB4R2TSHR
SCHEMBL6301321 0.86 LTB4R (0.32) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6307052 0.85 BRD4 (0.37) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6700648 0.83 LTB4R (0.36) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6300110 0.83 LTB4R (0.35) BRD4LTB4RLTB4R2ADRB2ADRB1
Bromide SCHEMBL6300825 0.83 LTB4R (0.35) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6299367 0.83 LTB4R (0.35) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6306132 0.83 LTB4R (0.47) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6306125 0.83 LTB4R (0.47) BRD4LTB4RLTB4R2ADRB2ADRB1
SCHEMBL6306288 0.83 CYP1A2 (0.35) BRD4LTB4RLTB4R2ADRB2ADRB1

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 BRD4 2102/4885BRD2 4141/4885SMARCA2 4474/4885

“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.