SCHEMBL3345699

SCHEMBL3345699

O=C(OCc1ccccc1)C1CCC2OC2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
STS P08842 1/20 0.43
NAMPT P43490 1/20 0.43
FKBP1A P62942 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL715194 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL4269550 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL4269208 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL3345701 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL24535022 0.91 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL12398445 0.91 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL17613464 0.91 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL30003454 0.91 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL10291596 0.91 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL26084032 0.91 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3685989-B1 OBJECT-GRIPPING ATTACHMENT AND INDUSTRIAL ROBOT USING OBJECT-GRIPPING ATTACHMENT KONICA MINOLTA INC (JP) 2023-03-15 EP disclosed
US-20210206898-A1 POLYMERIZABLE COMPOSITION FOR THREE-DIMENSIONAL MODELING, PRODUCTION METHOD OF THREE-DIMENSIONAL MODEL USING SAME, AND THREE-DIMENSIONAL MODEL Konica Minolta, Inc. (JP) 2021-07-08 US disclosed
US-20200276752-A1 RESIN COMPOSITION, METHOD FOR MANUFACTURING THREE-DIMENSIONAL OBJECT USING RESIN COMPOSITION, THREE-DIMENSIONAL OBJECT, AND OBJECT-GRIPPING ATTACHMENT, AND INDUSTRIAL ROBOT USING OBJECT-GRIPPING ATTACHMENT Konica Minolta, Inc. (JP) 2020-09-03 US disclosed
EP-3685989-A1 RESIN COMPOSITION, METHOD FOR MANUFACTURING THREE-DIMENSIONAL OBJECT USING RESIN COMPOSITION, THREE-DIMENSIONAL OBJECT, AND OBJECT-GRIPPING ATTACHMENT, AND INDUSTRIAL ROBOT USING OBJECT-GRIPPING ATTACHMENT Konica Minolta, Inc. (JP) 2020-07-29 EP disclosed
US-20200165218-A1 METHODS FOR MAKING CYCLOHEXENE OXIDE-CONTAINING ESTERS ARKEMA INC. 2020-05-28 US disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7442693-B2 Diazepine compounds as ligands of the melanocortin 1 and/or 4 receptors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
US-20070270411-A1 Novel Diazepine Compounds as Ligands of the Melanocortin 1 and/or 4 Receptors SMITHKLINE BEECHAM CORPORATION 2007-11-22 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
WO-2005118573-A1 NOVEL DIAZEPINE COMPOUNDS AS LIGANDS OF THE MELANOCORTIN 1 AND/OR 4 RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-15 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 (5 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL SMN1; SMN2 847/4885NPC1 3353/4885RAB9A 1817/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 SMN1; SMN2 1044/4885NPC1 3879/4885RAB9A 3368/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 SMN1; SMN2 847/4885NPC1 3934/4885RAB9A 1678/4885
US-20070270411-A1 Novel Diazepine Compounds as Ligands of the Melanocortin 1 and/or 4 Receptors MC4R, MC3R, MC5R SMN1; SMN2 3702/4885NPC1 2420/4885RAB9A 2301/4885
US-20200165218-A1 METHODS FOR MAKING CYCLOHEXENE OXIDE-CONTAINING ESTERS CBR1, ADH1A, AOX1 SMN1; SMN2 4237/4885NPC1 3195/4885RAB9A 4419/4885

“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.