SCHEMBL5139856

SCHEMBL5139856

C=CC(O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
MAOB P27338 3/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
MAOA P21397 1/20 0.44
MAPT P10636 3/20 0.43
AR P10275 1/20 0.43
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGES O14684 1/20 0.41
LMNA P02545 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
SCHEMBL14191569 1.00 BACE1 (0.50) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7138334 0.87 BACE1 (0.49) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7135777 0.86 BACE1 (0.48) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7135779 0.86 BACE1 (0.48) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7084801 0.82 BACE1 (0.47) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL6372335 0.81 BACE1 (0.60) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL14218374 0.81 MAPT (0.50) MEN1KMT2ANPC1RAB9ATLR4
SCHEMBL20921416 0.78 AKR1C3 (0.44) BACE1NPC1RAB9AMAPTLMNA
SCHEMBL5139366 0.78 BACE1 (0.54) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL3235424 0.78 BACE1 (0.59) BACE1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378505-B1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS YAKULT HONSHA KK (JP) 2014-11-05 EP disclosed
US-7378555-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-27 US disclosed
US-20070010674-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2007-01-11 US disclosed
US-7126000-B2 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-10-24 US disclosed
US-20040106830-A1 Method of synthesizing camptothecin-relating compounds KABUSHIKI KAISHA YAKULT HONSHA (JP) 2004-06-03 US disclosed
EP-1378505-A1 METHOD OF SYNTHESIZING CAMPTOTHECIN-RELATING COMPOUNDS Kabushiki Kaisha Yakult Honsha (JP) 2004-01-07 EP 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 (2 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-20070010674-A1 Method of synthesizing camptothecin-relating compounds PAICS, DHPS, TOP2A BACE1 2335/4885MEN1 2581/4885KMT2A 2593/4885
US-20040106830-A1 Method of synthesizing camptothecin-relating compounds PAICS, DHPS, TOP2A BACE1 2493/4885MEN1 2555/4885KMT2A 2454/4885

“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.