SCHEMBL12370724

SCHEMBL12370724

C=CCCOc1ccc(C(C)(C)c2ccc(OCCCCOc3ccc(C(C)(C)c4ccc(OCCC=C)cc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.51
▸ GAA P10253 1/20 0.51
▸ KDM4E B2RXH2 9/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ PSMB1 P20618 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ PSMB2 P49721 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ HTT P42858 1/20 0.44
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 2/20 0.42

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
SCHEMBL12370704 0.96 SMN1; SMN2 (0.51) ALDH1A1GAAKDM4ESMN1; SMN2PSMB1
SCHEMBL12370731 0.92 ALDH1A1 (0.51) ALDH1A1GAAKDM4ESMN1; SMN2PSMB1
SCHEMBL12370712 0.91 ALDH1A1 (0.54) ALDH1A1GAAKDM4ESMN1; SMN2PSMB1
SCHEMBL28779833 0.86 KDM4E (0.50) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL12370726 0.84 ALDH1A1 (0.50) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL12370719 0.83 ALDH1A1 (0.51) ALDH1A1GAAKDM4ESMN1; SMN2PSMB1
SCHEMBL11325754 0.81 HRH3 (0.52) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL9588954 0.81 ALDH1A1 (0.54) ALDH1A1GAAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL19912060 0.81 ALDH1A1 (0.54) ALDH1A1GAAKDM4ESMN1; SMN2PSMB1
SCHEMBL13882000 0.80 NR5A1 (0.56) ALDH1A1GAAL3MBTL1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765263-B1 DENTAL COMPOSITION CONTAINING SI-H FUNCTIONAL CARBOSILANE COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 — — EP disclosed
EP-1765261-B1 DENTAL COMPOSITION CONTAINING UNSATURATED CARBOSILANE CONTAINING COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 — — EP disclosed
EP-1765264-B1 DENTAL COMPOSITION CONTAINING UNSATURATED CARBOSILANE CONTAINING COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 — — EP disclosed
US-8003711-B2 Dental composition containing Si-H functional carbosilane components 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-08-23 — — US disclosed
US-8003711-B2 Dental composition containing Si-H functional carbosilane components 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-08-23 — — US disclosed
US-7915324-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 — — US disclosed
US-7915324-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 — — US disclosed
EP-1765265-B1 DENTAL COMPOSITION CONTAINING AN EPOXY FUNCTIONAL CARBOSILANE COMPOUND 3M ESPE AG (DE) 2010-10-06 — — EP disclosed
US-7799846-B2 Dental composition containing an epoxy functional carbosilane compound 3M ESPE AG (DE) 2010-09-21 — — US disclosed
US-7799846-B2 Dental composition containing an epoxy functional carbosilane compound 3M ESPE AG (DE) 2010-09-21 — — US disclosed
US-7662869-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-16 — — US disclosed
US-7662869-B2 Curable di- or polyunsaturated carbosilane containing silicon-aryl bondand no silicon-oxygen bonds; initiator, filler, dyes, pigments, thixotropic agents, flow control agents, polymeric thickeners, surfactants, odorous substances, diluting agent(s) and flavors; crowns, bridges 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-02-16 — — US disclosed
US-20080070193-A1 Dental Composition Containing Unsaturated Carbosilane Containing Components 3M DEUTSCHLAND GMBH (DE) 2008-03-20 — — US disclosed
US-20080070193-A1 Dental Composition Containing Unsaturated Carbosilane Containing Components 3M DEUTSCHLAND GMBH (DE) 2008-03-20 — — US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 — — US disclosed
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound 3M DEUTSCHLAND GMBH (DE) 2008-02-07 — — US disclosed
US-20070238803-A1 Dental Composition Containing Si-H Functional Carbosilane Components 3M DEUTSCHLAND GMBH (DE) 2007-10-11 — — US disclosed
US-20070238803-A1 Dental Composition Containing Si-H Functional Carbosilane Components 3M DEUTSCHLAND GMBH (DE) 2007-10-11 — — US disclosed
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 — — US disclosed
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 — — 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 (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-20070238803-A1 Dental Composition Containing Si-H Functional Carbosilane Components TAS2R41, TAS2R42, TAS1R1 ALDH1A1 1450/4885GAA 1570/4885KDM4E 2817/4885
US-20070207443-A1 Dental composition containing unsaturated carbosilane containing components TAS1R1, TAS2R41, TAS2R39 ALDH1A1 1136/4885GAA 2189/4885KDM4E 3707/4885
US-20080031830-A1 Dental Composition Containing an Epoxy Functional Carbosilane Compound EPX, TAS2R41, TAS1R1 ALDH1A1 1405/4885GAA 1024/4885KDM4E 2022/4885

“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.

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