SCHEMBL316896

SCHEMBL316896

C=Cc1ccc(CC=C(C)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TBXAS1 P24557 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
PSMD14 O00487 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 2/20 0.33
BACE1 P56817 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL7177427 1.00 AKR1C3 (0.39) AKR1C3ALDH1A1TBXAS1TAS1R3TAS1R1
Styrene SCHEMBL9256347 0.90 AKR1C3 (0.49) AKR1C3ALDH1A1TBXAS1LMNATDP1
SCHEMBL29801930 0.87 ALDH1A1 (0.40) AKR1C3ALDH1A1TBXAS1TAS1R3TAS1R1
Styrene SCHEMBL5669191 0.86 AKR1C3 (0.45) AKR1C3ALDH1A1TBXAS1LMNATDP1
SCHEMBL869595 0.82 AKR1C3 (0.37) AKR1C3ALDH1A1TBXAS1LMNATRPA1
SCHEMBL3371588 0.81 PTGS2 (0.43) AKR1C3ALDH1A1TBXAS1TDP1CYP2C9
SCHEMBL7804308 0.81 PTGS2 (0.43) AKR1C3ALDH1A1TBXAS1TDP1CYP2C9
SCHEMBL8615571 0.80 MEN1 (0.42) AKR1C3ALDH1A1LMNACYP1A2
SCHEMBL15301308 0.80 ALDH1A1 (0.48) AKR1C3ALDH1A1TDP1TRPA1CYP2C9
SCHEMBL1921017 0.80 CTBP2 (0.44) AKR1C3ALDH1A1LMNATDP1TRPA1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238715-B2 Polymerizable composition for ophthalmic and medical use and antimicrobial composition obtained by polymerizing the polymerizable composition NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-01-19 US claimed
EP-1696257-B1 CONTACT LENS MATERIAL MENICON CO LTD (JP) 2012-11-21 EP claimed
EP-0722110-B1 Water absorptive soft contact lens MENICON CO LTD (JP) 2003-09-17 EP claimed
EP-0944656-B1 PROCESS FOR PREPARING RUBBER-MODIFIED MOULDING COMPOUNDS BASF AG (DE) 2001-07-11 EP claimed
US-11688845-B2 Method for passive metal activation and uses thereof TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-06-27 US disclosed
EP-3127183-B1 METHOD FOR PASSIVE METAL ACTIVATION AND USES THEREOF TECHNION RES & DEV FOUNDATION (IL) 2020-09-30 EP disclosed
US-20200235374-A1 METHOD FOR PASSIVE METAL ACTIVATION AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2020-07-23 US disclosed
EP-3121643-B1 OPHTHALMIC LENS MENICON CO LTD (JP) 2020-07-22 EP disclosed
US-10644304-B2 Method for passive metal activation and uses thereof TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2020-05-05 US disclosed
EP-2983618-B1 PHAKIC LENS DEVICE WITH OPENINGS AND CONCENTRIC ANNULAR ZONES DAVE JAGRAT NATAVAR (IN) 2019-04-17 EP disclosed
US-20170304047-A1 INTRAOCULAR LENS CUSTOMIZED FOR ASTIGMATISM OR COMBINED ASTIGMATISM AND PRESBYOPIA DAVE, JAGRAT NATAVAR (IN) 2017-10-26 US disclosed
EP-3188690-A1 INTRAOCULAR LENS CUSTOMIZED FOR ASTIGMATISM OR COMBINED ASTIGMATISM AND PRESBYOPIA Dave, Jagrat Natavar (IN) 2017-07-12 EP disclosed
EP-0944654-B1 ANIONIC POLYMERISATION OF ACRYLATES AND METHACRYLATES BASF AG (DE) 2002-03-20 EP disclosed
US-6277940-B1 TRANSPARENCY AND FLEXIBILITY, REFRACTIVE INDEX, CAN BE INSERTED FROM A SMALL INCISION MENICON CO. LTD (JP) 2001-08-21 US disclosed
EP-0944656-B1 PROCESS FOR PREPARING RUBBER-MODIFIED MOULDING COMPOUNDS BASF AG (DE) 2001-07-11 EP disclosed
EP-1030194-A1 Material for a soft intraocular lens Menicon Co., Ltd. (JP) 2000-08-23 EP disclosed
US-6015874-A CURING AGENT FOR HYDROPHILIC, TRANSPARENT, DURABLE POLYMERIC CONTACT OR INTRAOCULAR LENSES WHICH ALSO ABSORB ULTRA VIOLET RADIATION AND ARE OXYGEN PERMEABLE MENICON CO., LTD. (JP) 2000-01-18 US disclosed
US-5919742-A SOLID FORM; BLEND OF NONIONIC ADDITION POLYMER SURFACTANTS AND CROSSLINKING AGENT MENICON CO., LTD. (JP) 1999-07-06 US disclosed
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed
US-5519070-A FLUORINE, ALKOXY POLYSILOXANE COPOLYMERS FOR INTRAOCULAR LENSES MENICON CO., LTD. (JP) 1996-05-21 US disclosed