SCHEMBL1593497

SCHEMBL1593497

O=C1C[C]c2ccccc2OC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.39
MAOA P21397 2/20 0.39
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX5 P09917 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
MIF P14174 1/20 0.30
ACHE P22303 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL868520 0.74 ABCG2 (0.52) MAOBMAOAPKMTSHRABCG2
SCHEMBL10841182 0.72 KDM4E (0.33) MAOBMAOAPKMTSHRABCG2
SCHEMBL10841179 0.72 KDM4E (0.33) MAOBMAOAPKMTSHRABCG2
SCHEMBL158579 0.70
SCHEMBL30450885 0.67 CYP1A2 (0.54) MAOBMAOAPKMTSHRABCG2
SCHEMBL3962887 0.67 CYP1A2 (0.54) MAOBMAOAPKMTSHRABCG2
SCHEMBL433176 0.67 ITGB2 (0.50) MAOBMAOAPKMTSHRABCG2
SCHEMBL1450831 0.67 ITGB2 (0.50) MAOBMAOAPKMTSHRABCG2
SCHEMBL6108899 0.65 CYP2A6 (0.50) MAOBMAOAPKMTSHRABCG2
SCHEMBL8115687 0.65 MAOA (0.43) MAOBMAOATSHRABCG2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. 2011-04-21 US disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137499-A1 INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009067493-A2 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. (US) 2009-05-28 WO 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-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS PSEN1, PSEN2, BACE1 MAOB 37/4885MAOA 62/4885PKM 3976/4885

“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.