SCHEMBL6300003

SCHEMBL6300003

COCCOCc1c(O[C@@](C)(c2ccccc2)c2ncc[nH]2)ccc2c1CCCC2=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
BRD4 O60885 3/20 0.32
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
SIGMAR1 Q99720 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
SCHEMBL6299367 0.92 LTB4R (0.35) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6306076 0.90 BRD4 (0.36) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6307052 0.88 BRD4 (0.37) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6301952 0.88 LTB4R (0.33) LTB4RLTB4R2BRD4
SCHEMBL6300976 0.87 MAOA (0.34) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6300168 0.86 LTB4R (0.34) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6700648 0.86 LTB4R (0.36) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6307211 0.86 MAOA (0.33) LTB4RLTB4R2BRD4
Hydrochloric Acid SCHEMBL6306269 0.86 LTB4R (0.34) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6307795 0.86 LTB4R (0.34) LTB4RLTB4R2BRD4ADRB2ADRB1

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 2051/4885BRD4 2102/4885

“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.