SCHEMBL7947753

SCHEMBL7947753

Cc1cccc2c1CC(C)O2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 10/20 0.47
MAOB P27338 3/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
POLL Q9UGP5 1/20 0.45
MAPT P10636 1/20 0.45
BRD4 O60885 2/20 0.42
CREBBP Q92793 2/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.38
MAP3K14 Q99558 1/20 0.37

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
SCHEMBL4596846 0.85 KDM4E (0.43) KDM4ETSHRMAOAMAOBALDH1A1
SCHEMBL13894882 0.78 AKR1B1 (0.42) KDM4ETSHRMAOAMAOBALDH1A1
SCHEMBL5543882 0.78 BRD4 (0.45) KDM4ETSHRMAOAMAOBALDH1A1
SCHEMBL1284896 0.78 MAOA (0.54) KDM4EMAOAMAOBALDH1A1HPGD
SCHEMBL3694108 0.78 BRD4 (0.41) KDM4ETSHRMAOAMAOBALDH1A1
SCHEMBL1285321 0.78 PARP1 (0.45) KDM4ETSHRMAOAMAOBALDH1A1
SCHEMBL10262512 0.77 ACHE (0.40) KDM4ETSHRMAOAMAOBALDH1A1
SCHEMBL18474141 0.77 MAOA (0.50) KDM4ETSHRMAOAALDH1A1HPGD
SCHEMBL23735394 0.77 KIF11 (0.38) KDM4ETSHRMAOAMAOBPOLL
SCHEMBL19684818 0.77 KIF11 (0.38) KDM4ETSHRMAOAMAOBPOLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
WO-2015158206-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 上海迪诺医药科技有限公司 2015-10-22 WO disclosed
US-8106215-B2 3-aza-bicyclo[3.3.0]octane compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-31 US disclosed
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-22 US disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20090131688-A1 METHOD FOR THE SYNTHESIS OF 4-BENZOFURAN-CARBOXYLIC ACID ZACH SYSTEM (FR) 2009-05-21 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 (4 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 KDM4E 3467/4885TSHR 240/4885MAOA 468/4885
US-20090131688-A1 METHOD FOR THE SYNTHESIS OF 4-BENZOFURAN-CARBOXYLIC ACID COASY, HSD17B12, ALDH18A1 KDM4E 1526/4885TSHR 3778/4885MAOA 382/4885
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 KDM4E 1326/4885TSHR 3338/4885MAOA 1221/4885
US-20100184808-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS HCRTR2, HCRTR1, OXTR KDM4E 711/4885TSHR 248/4885MAOA 227/4885

“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.