SCHEMBL5546808

SCHEMBL5546808

CCOC(=O)C1=Cc2ccccc2OCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
THRB P10828 1/20 0.39

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
SCHEMBL29435098 0.86 ALDH1A1 (0.61) ALOX5ALDH1A1KDM4EKMT2APKM
SCHEMBL4537381 0.86 ALDH1A1 (0.61) ALOX5ALDH1A1KDM4EKMT2APKM
SCHEMBL914240 0.84 CA12 (0.59) ALOX5ALDH1A1KDM4EKMT2APKM
SCHEMBL7382482 0.84 CA12 (0.47) ALDH1A1KDM4EKMT2ACA12CA9
SCHEMBL3450041 0.83 CA12 (0.43) ALOX5ALDH1A1KDM4EKMT2ACA12
SCHEMBL7388942 0.83 ALOX5 (0.43) ALOX5ALDH1A1KDM4EKMT2ATSHR
SCHEMBL5209415 0.82 CCR2 (0.43) ALOX5ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL7697013 0.82 NPC1 (0.41) ALOX5ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL7380758 0.82 CA12 (0.47) ALDH1A1KDM4EKMT2ACA12CA9
SCHEMBL7385872 0.82 CA12 (0.47) KDM4EKMT2ACA12CA9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-6596758-B1 Treatment of dislipidaemias, atherosclerosis and diabetes, to pharmaceutical compositions comprising them and to processes allowing the preparation of these compounds. MERCK PATENT GMBH (DE) 2003-07-22 US disclosed
EP-1140893-B1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-05 EP disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 EP disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1140893-A1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed
WO-2000039113-A1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-07-06 WO disclosed
WO-1998055475-A1 GUANIDINE DERIVIATIVES AS INHIBITORS OF NA+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 WO disclosed
WO-1998016527-A1 BENZOXEPINE DERIVATIVES WHICH PROMOTE RELEASE OF GROWTH HORMONE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-23 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 (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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 ALOX5 3076/4885ALDH1A1 3207/4885KDM4E 2097/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 ALOX5 2231/4885ALDH1A1 3392/4885KDM4E 1121/4885

“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.