SCHEMBL178628

SCHEMBL178628

C=CC[C@@H]1C[C@@H](OCc2ccc(OC)cc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
BDKRB2 P30411 2/20 0.44
ELANE P08246 6/20 0.44
F2 P00734 3/20 0.43
CTSG P08311 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGB1 P05556 2/20 0.41
ITGAV P06756 2/20 0.41
ITGA5 P08648 2/20 0.41
ITGB5 P18084 2/20 0.41
P2RX4 Q99571 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL115938 0.91 ABCB1 (0.45) ABCB1BDKRB2ALDH1A1NPSR1TP53
SCHEMBL3400542 0.91 ABCB1 (0.45) ABCB1BDKRB2ALDH1A1NPSR1TP53
SCHEMBL3402980 0.88 ALDH1A1 (0.44) BDKRB2ELANEF2CTSGALDH1A1
SCHEMBL115758 0.88 ALDH1A1 (0.44) BDKRB2ELANEF2CTSGALDH1A1
SCHEMBL116032 0.88 BDKRB2 (0.47) ABCB1BDKRB2ALDH1A1NPSR1TP53
SCHEMBL13625881 0.87 BDKRB2 (0.52) ABCB1BDKRB2
SCHEMBL116901 0.86 BDKRB2 (0.46) ABCB1BDKRB2ALDH1A1NPSR1TP53
SCHEMBL114544 0.85 BDKRB2 (0.45) ABCB1BDKRB2ALDH1A1NPSR1TP53
SCHEMBL26893928 0.85 ABCB1 (0.47) ABCB1BDKRB2ALDH1A1TP53
SCHEMBL3398953 0.84 ALDH1A1 (0.46) BDKRB2ALDH1A1NPSR1TP53P2RX4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ABCB1 53/4885BDKRB2 677/4885ELANE 805/4885

“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.