SCHEMBL487105

SCHEMBL487105

CC(=O)Oc1cccc2cc(C(C)C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
BLM P54132 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 2/20 0.42
PTGS1 P23219 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PGR P06401 1/20 0.42
HTT P42858 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
AKR1B1 P15121 1/20 0.40
ADORA3 P0DMS8 2/20 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
SCHEMBL26036680 0.80 MAOB (0.50) ALDH1A1GAAKDM4EBLMTDP1
SCHEMBL9476254 0.80 KDM4E (0.50) ALDH1A1GAAKDM4EBLMTDP1
SCHEMBL487736 0.79 HDAC4 (0.54) ALDH1A1KDM4EKMT2AHSD17B10HDAC4
SCHEMBL7099992 0.77 MTNR1A (0.52) ALDH1A1GAAKDM4EBLMTDP1
SCHEMBL4328550 0.77 ALDH1A1 (0.58) ALDH1A1GAAKDM4EBLMTDP1
Alpha-Naphthylacetate SCHEMBL76633 0.77 ALDH1A1 (0.66) ALDH1A1GAAKDM4EBLMTDP1
Alpha-Naphthylacetate SCHEMBL29372782 0.77 ALDH1A1 (0.66) ALDH1A1GAAKDM4EBLMTDP1
SCHEMBL6688920 0.76 HTT (0.56) ALDH1A1GAAKDM4EBLMTDP1
SCHEMBL19355167 0.76 ALDH1A1 (0.49) ALDH1A1GAAKDM4EBLMTDP1
SCHEMBL29963170 0.76 ALDH1A1 (0.49) ALDH1A1GAAKDM4EBLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2013-12-19 US disclosed
US-8541532-B2 Silane compound, production method thereof, and resin composition containing silane compound NIPPON SHOKUBAI CO., LTD. (JP) 2013-09-24 US disclosed
EP-2180019-B1 Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND (JP) 2012-02-01 EP disclosed
US-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD (JP) 2010-12-16 US disclosed
US-7723407-B2 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2010-05-25 US disclosed
EP-2180019-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2010-04-28 EP disclosed
US-20090010603-A1 Resin Composition for Optical Packaging Material and Process for Preparing the Same, and Optical Packaging Material, Optical Packaging Component, and Optical Module NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-08 US disclosed
WO-2008099904-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2008-08-21 WO disclosed
WO-2006038735-A1 RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE NIPPON SHOKUBAI CO., LTD. (JP) 2006-04-13 WO disclosed
EP-1626065-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2006-02-15 EP disclosed
US-20060029811-A1 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2006-02-09 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 (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-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND PIEZO1, ORAI2, ARID2 ALDH1A1 1779/4885GAA 4261/4885KDM4E 621/4885
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND ZYX, NOX3, NOXO1 ALDH1A1 1943/4885GAA 3935/4885KDM4E 1031/4885

“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.