SCHEMBL7592170

SCHEMBL7592170

COC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(C(=O)O)ccc1CC[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.53
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
LTA4H P09960 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERAP2 Q6P179 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PPARD Q03181 2/20 0.40
SRD5A2 P31213 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7591179 0.89 LTB4R (0.45) LNPEPMEN1KMT2AERAP2PPARG
SCHEMBL7600452 0.82 LTB4R (0.48) LNPEPMAPTNR1H4LTA4HNR4A1
SCHEMBL6197847 0.77 LNPEP (0.52) LNPEPMAPTMEN1KMT2ALTA4H
SCHEMBL7600449 0.73 TSPO (0.53) NR1H4NR4A1NR4A2NR4A3TDP1
SCHEMBL7593521 0.71 ALDH1A1 (0.47) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL5607555 0.70 PPARA (0.72) LTA4HPPARGPPARAPPARD
SCHEMBL7593566 0.70 KMT2A (0.46) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5355177 0.69 LTA4H (0.67) LTA4HPPARGPPARAPPARDNPC1
SCHEMBL5606931 0.69 PPARA (0.74) LTA4HPPARGPPARAPPARD
SCHEMBL5606773 0.69 PPARA (0.65) LTA4HNR4A1NR4A2NR4A3PPARG

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 LNPEP 3436/4885MAPT 4390/4885MEN1 1677/4885

“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.