SCHEMBL10200201

SCHEMBL10200201

Cc1cc(OCc2ccccc2)cc[n+]1[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
MAOB P27338 10/20 0.50
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
MAOA P21397 3/20 0.45
TOP1 P11387 1/20 0.45
BCHE P06276 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL9747473 0.81 MAOB (0.49) MAOBMAOA
SCHEMBL10051979 0.79 ALOX5 (0.47) ALOX5MAOBHRH3MAOABCHE
SCHEMBL557817 0.75 LMNA (0.57) ALOX5MAOBRAB9AMAOABCHE
SCHEMBL228426 0.75 CA12 (0.49) ALOX5MAOBMEN1NPC1RAB9A
SCHEMBL9669574 0.75 MAPT (0.40) MAOBMEN1KMT2AMAOAPTGS1
SCHEMBL10052009 0.74 MAOB (0.43) ALOX5MAOBMEN1NPC1RAB9A
SCHEMBL17303853 0.73 MAPT (0.49) MAOBMEN1NPC1RAB9AKMT2A
SCHEMBL6839168 0.72 CYP1A2 (0.39) MEN1KMT2AHRH3CYP1A2CYP2C19
SCHEMBL6999744 0.72 ALOX5 (0.68) ALOX5MAOBMEN1NPC1RAB9A
SCHEMBL4733026 0.71 MAPT (0.59) CYP2C19

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-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ALOX5 760/4885MAOB 1020/4885MEN1 1657/4885

“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.