SCHEMBL7596121

SCHEMBL7596121

COc1ccccc1CCC(=O)Nc1cc(C(=O)O)ccc1C(C)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL7593031 0.87 SELL (0.44) LTB4RNPC1RAB9AGAAMAPT
SCHEMBL7593523 0.86 LTB4R (0.45) LTB4RNPC1RAB9AGAAMAPT
SCHEMBL7594764 0.85 LTB4R (0.47) LTB4RRAB9AGAAMAPTALDH1A1
SCHEMBL7598800 0.85 LTB4R (0.54) LTB4RNPC1RAB9AGAAMAPT
SCHEMBL7595154 0.83 GAA (0.42) LTB4RRAB9AHSD17B10GAAMAPT
SCHEMBL7591514 0.82 LTB4R (0.55) LTB4RHPGDHSD17B10GAAMAPT
SCHEMBL7594892 0.82 LTB4R (0.62) LTB4RRAB9AGAAMAPTALDH1A1
SCHEMBL7596183 0.81 LTB4R (0.47) LTB4RRAB9AMAPTALDH1A1LMNA
SCHEMBL7596213 0.80 ALDH1A1 (0.51) LTB4RKDM4EMAPTALDH1A1KMT2A
SCHEMBL7595238 0.80 LTB4R (0.49) LTB4RRAB9AGAAMAPTALDH1A1

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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 LTB4R 1803/4885NPC1 827/4885RAB9A 3277/4885

“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.