SCHEMBL12370725

SCHEMBL12370725

C=CCOc1ccc(C(C)(c2ccccc2)c2ccc(OCCCOc3ccc(C(C)(c4ccccc4)c4ccc(OCC=C)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 9/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HTT P42858 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LTA4H P09960 2/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40

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
SCHEMBL12370702 0.94 SMN1; SMN2 (0.46) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL827011 0.87 CA12 (0.49) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL12370714 0.86 ALDH1A1 (0.53) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL17012467 0.86 ALDH1A1 (0.40) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL12370726 0.85 ALDH1A1 (0.50) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL12370708 0.84 KDM4E (0.50) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL11121843 0.84 SMN1; SMN2 (0.57) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL12370719 0.84 ALDH1A1 (0.51) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL12370736 0.84 ALDH1A1 (0.50) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL15869178 0.82 CA12 (0.45) ALDH1A1GAAKDM4ESMN1; SMN2MEN1

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-1765264-B1 DENTAL COMPOSITION CONTAINING UNSATURATED CARBOSILANE CONTAINING COMPONENTS MINNESOTA MINING MFG GMBH (DE) 2015-08-19 — — EP disclosed
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
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.

Send feedback