SCHEMBL7591179

SCHEMBL7591179

COC(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.45
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
LNPEP Q9UIQ6 2/20 0.38
SRR Q9GZT4 2/20 0.38
PSAT1 Q9Y617 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERAP2 Q6P179 1/20 0.36
MME P08473 1/20 0.36
MMEL1 Q495T6 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL7592170 0.89 LNPEP (0.53) PPARGPPARDPPARAPOLBLNPEP
SCHEMBL7594870 0.81 ALDH1A1 (0.41) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL6168965 0.75 RAB9A (0.48) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL7916874 0.74 HCAR3 (0.59) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL7593521 0.74 ALDH1A1 (0.47) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL7593566 0.73 KMT2A (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL27879474 0.71 HCAR3 (0.55) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL7597821 0.71 MME (0.44) LTB4RALDH1A1LNPEPMEN1KMT2A
SCHEMBL7596215 0.70 ALDH1A1 (0.51) LTB4RALDH1A1LMNAPOLBMEN1
SCHEMBL7594893 0.69 LTB4R2 (0.42) LTB4RALDH1A1

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 1803/4885PPARG 1181/4885PPARD 878/4885

“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.