SCHEMBL487227

SCHEMBL487227

CC(=O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.78
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
ABCC4 O15439 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
PTGS1 P23219 1/20 0.52
HTT P42858 1/20 0.52
EPHX1 P07099 1/20 0.51
NAAA Q02083 3/20 0.50
MAPT P10636 2/20 0.50
MMP12 P39900 1/20 0.49
FFAR1 O14842 2/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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 0.94 ALDH1A1 (0.88) ALDH1A1RAB9ANPC1LMNATSHR
SCHEMBL4198688 0.92 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1EPHX1NAAA
SCHEMBL9581057 0.90 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1IDO1AGXT
SCHEMBL14063398 0.90 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1IDO1AGXT
SCHEMBL14063393 0.90 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1IDO1AGXT
SCHEMBL3082525 0.89 RAB9A (0.62) ALDH1A1RAB9ANPC1GAAMAPT
E1501 SCHEMBL28201296 0.88 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1LMNATSHR
E1501 SCHEMBL901210 0.88 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1LMNATSHR
E1501 SCHEMBL14031569 0.88 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1LMNATSHR
E1501 SCHEMBL43745 0.88 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1LMNATSHR

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
WO-2023083933-A1 NEUTRAL BRUSHES WITH TUNABLE POLARITY FOR SELF-ASSEMBLY OF BLOCK COPOLYMERS WITH POLY(STYRENE) AND POLY(METHYL METHACRYLATE) CONTAINING SEGMENTS MERCK PATENT GMBH (DE) 2023-05-19 WO disclosed
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-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 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-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US 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
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US 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 (6 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885RAB9A 777/4885NPC1 745/4885
US-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND PIEZO1, ORAI2, ARID2 ALDH1A1 1779/4885RAB9A 3508/4885NPC1 3012/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885RAB9A 777/4885NPC1 745/4885
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND ZYX, NOX3, NOXO1 ALDH1A1 1943/4885RAB9A 3614/4885NPC1 3187/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885RAB9A 777/4885NPC1 745/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885RAB9A 777/4885NPC1 745/4885

“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.