SCHEMBL3733212

SCHEMBL3733212

COc1ccc(-c2coc3cc(OCc4noc(-c5ccccc5OC)n4)ccc3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.55
MAPT P10636 6/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP3A4 P08684 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
HSD17B10 Q99714 2/20 0.52
XDH P47989 1/20 0.52
BCL2 P10415 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4090429 0.95 ALDH1A1 (0.50) TERTMAPTALDH1A1MEN1KMT2A
SCHEMBL2107604 0.95 XDH (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4090316 0.86 XDH (0.66) TERTMAPTALDH1A1MEN1KMT2A
SCHEMBL2108760 0.83 XDH (0.63) TERTMAPTALDH1A1MEN1KMT2A
SCHEMBL2108020 0.82 ALDH2 (0.61) MAOAMAOBALDH2
SCHEMBL3666659 0.82 ALDH2 (0.59) MAOAMAOBALDH2
SCHEMBL3663522 0.80 ALDH2 (0.55) MAOAMAOBXDHALDH2
SCHEMBL3670268 0.80 XDH (0.53) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL2108143 0.79 ALDH2 (0.60) ALDH1A1RAB9ANPC1KDM4EHPGD
SCHEMBL2106733 0.79 ALDH2 (0.57) MAOAMAOBXDHALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP claimed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US claimed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US claimed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO claimed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 TERT 3600/4885MAPT 1815/4885ALDH1A1 1/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 TERT 3911/4885MAPT 1778/4885ALDH1A1 1/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 TERT 4657/4885MAPT 2549/4885ALDH1A1 3/4885

“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.