SCHEMBL487699

SCHEMBL487699

CC(=O)OCc1cccc(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
MMP1 P03956 2/20 0.57
MMP2 P08253 2/20 0.57
MMP12 P39900 2/20 0.57
AGXT P21549 1/20 0.56
MMP9 P14780 1/20 0.56
MGLL Q99685 2/20 0.55
NR4A2 P43354 1/20 0.54
FFAR1 O14842 3/20 0.51
AKR1B1 P15121 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
IDH1 O75874 1/20 0.50
ENPP2 Q13822 1/20 0.49
BCL2 P10415 1/20 0.49
PRKDC P78527 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AOC3 Q16853 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
Biphenyl SCHEMBL11403488 0.89 ALDH1A1 (0.88) ALDH1A1MGLLIDH1NPC1RAB9A
SCHEMBL6709375 0.85 ALDH1A1 (0.73) ALDH1A1IDH1PRKDCRAB9ACYP3A4
SCHEMBL10890254 0.84 MMP1 (0.52) ALDH1A1MMP1MMP2MMP12AGXT
E1501 SCHEMBL27792467 0.84 ALDH1A1 (0.67) ALDH1A1MMP1MMP2MMP12MMP9
SCHEMBL487227 0.84 ALDH1A1 (0.78) ALDH1A1MMP12AGXTFFAR1NPC1
SCHEMBL24625332 0.83 ALDH1A1 (0.56) ALDH1A1MMP1MMP2MMP12MMP9
SCHEMBL8083752 0.83 MMP1 (0.55) ALDH1A1MMP1MMP2MMP12AGXT
SCHEMBL8402521 0.83 MMP1 (0.55) ALDH1A1MMP1MMP2MMP12AGXT
E1501 SCHEMBL901210 0.83 ALDH1A1 (1.00) ALDH1A1IDH1NPC1RAB9ACYP3A4
E1501 SCHEMBL14031569 0.83 ALDH1A1 (1.00) ALDH1A1IDH1NPC1RAB9ACYP3A4

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
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
US-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA CROP PROTECTION LLC (US) 2013-09-05 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
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN 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 (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-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND PIEZO1, ORAI2, ARID2 ALDH1A1 1779/4885MMP1 2304/4885MMP2 2837/4885
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND ZYX, NOX3, NOXO1 ALDH1A1 1943/4885MMP1 2915/4885MMP2 2957/4885
US-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS DDT, AGO2, INF2 ALDH1A1 4499/4885MMP1 4090/4885MMP2 2749/4885

“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.