SCHEMBL3170384

SCHEMBL3170384

COC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNN4 O15554 1/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
ALPL P05186 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
SCHEMBL11841428 0.82 MEN1 (0.66) MEN1KMT2AKCNN4RAB9AALDH1A1
SCHEMBL3180051 0.82 MAPT (0.51) TDP1MEN1KMT2ARAB9ATP53
SCHEMBL3169504 0.82 EPHX2 (0.47) MEN1KMT2AKCNN4RAB9AALDH1A1
SCHEMBL3169534 0.82 RAB9A (0.44) TDP1MEN1KMT2AKCNN4RAB9A
SCHEMBL1870824 0.81 KCNN4 (0.67) MEN1KMT2AKCNN4GAAALDH1A1
SCHEMBL1107149 0.79 CNR2 (0.57) TDP1KCNN4RAB9ATP53GAA
SCHEMBL16327169 0.79 RAB9A (0.47) TDP1KCNN4RAB9ATP53GAA
SCHEMBL17978759 0.77 KCNN4 (0.56) MEN1KMT2AKCNN4RAB9AGAA
SCHEMBL19770179 0.77 LMNA (0.52) MEN1KMT2AKCNN4GAACYP2D6
SCHEMBL71814 0.76 TSHR (0.44) TDP1RAB9AGAAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-7652138-B2 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-26 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
EP-1328524-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-23 EP disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US disclosed
WO-2002032898-A2 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 WO disclosed
US-6274583-B1 Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. 2001-08-14 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 (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-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 TDP1 2562/4885MEN1 1294/4885KMT2A 1831/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 TDP1 2135/4885MEN1 1082/4885KMT2A 2983/4885

“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.