SCHEMBL490872

SCHEMBL490872

CC(C(=O)O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.47
PTGS2 P35354 10/20 0.45
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TP53 P04637 1/20 0.44
CA3 P07451 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
FUT4 P22083 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL31103530 0.85 PTGS2 (0.53) PTGS2LMNACA12CA1CA2
SCHEMBL298241 0.83 AKR1C3 (0.53) PTGS2LMNAMAPTHPGDCYP2C9
SCHEMBL1741372 0.80 PTGS2 (0.44) PTGS2LMNAMAPTHPGDSMN1; SMN2
SCHEMBL9221016 0.80 AKR1C3 (0.46) PTGS2LMNAMAPTHPGDSMN1; SMN2
SCHEMBL291001 0.79 PTGS2 (0.47) PTGS2LMNAMAPTHPGDSMN1; SMN2
SCHEMBL15506106 0.79 PTGS2 (0.47) PTGS2LMNAMAPTHPGDSMN1; SMN2
SCHEMBL15506197 0.79 PTGS2 (0.47) PTGS2LMNAMAPTHPGDSMN1; SMN2
SCHEMBL5850729 0.78 CA1 (0.52) PTGS2LMNAALDH1A1CA1CA2
SCHEMBL5964865 0.78 TTR (0.48) PTGS2LMNAMAPTHPGDSMN1; SMN2
SCHEMBL32660739 0.78 TDP1 (0.55) PTGS2LMNAMAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976219-B2 Photo-cleavable primer compositions and methods of use ORMCO CORPORATION (US) 2024-05-07 US disclosed
US-11739223-B2 Surface primer compositions and methods of use ENVISTA (US) 2023-08-29 US disclosed
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ORMCO CORPORATION 2023-04-13 US disclosed
US-20230103027-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ENVISTA (US) 2023-03-30 US disclosed
US-11453790-B2 Photo-cleavable primer compositions and methods of use ENVISTA (US) 2022-09-27 US disclosed
US-11352512-B2 Surface primer compositions and methods of use ENVISTA (US) 2022-06-07 US disclosed
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ENVISTA (US) 2020-11-05 US disclosed
US-20200347247-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ENVISTA (US) 2020-11-05 US disclosed
US-10696698-B2 Surface primer compositions and methods of use ORMCO CORPORATION 2020-06-30 US disclosed
US-10689407-B2 Photo-cleavable primer compositions and methods of use ENVISTA (US) 2020-06-23 US disclosed
US-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO 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 (12 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-10696698-B2 Surface primer compositions and methods of use SP1, GPER1, GRIN1 AKR1B1 1087/4885PTGS2 3077/4885LMNA 2155/4885
US-20080152603-A1 Antioxidants GPX4, GPX1, CAT AKR1B1 244/4885PTGS2 320/4885LMNA 1949/4885
US-11453790-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 AKR1B1 964/4885PTGS2 2105/4885LMNA 935/4885
US-11352512-B2 Surface primer compositions and methods of use SP1, GPER1, GRIN1 AKR1B1 1087/4885PTGS2 3077/4885LMNA 2155/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 AKR1B1 1345/4885PTGS2 1873/4885LMNA 565/4885
US-20200347247-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, GRIN1 AKR1B1 1087/4885PTGS2 3077/4885LMNA 2155/4885
US-20200347248-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 AKR1B1 964/4885PTGS2 2105/4885LMNA 935/4885
US-20230112086-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, ESR1 AKR1B1 964/4885PTGS2 2105/4885LMNA 935/4885
US-11739223-B2 Surface primer compositions and methods of use SP1, GPER1, GRIN1 AKR1B1 1087/4885PTGS2 3077/4885LMNA 2155/4885
US-10689407-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 AKR1B1 964/4885PTGS2 2105/4885LMNA 935/4885
US-11976219-B2 Photo-cleavable primer compositions and methods of use SP1, GPER1, ESR1 AKR1B1 964/4885PTGS2 2105/4885LMNA 935/4885
US-20230103027-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE SP1, GPER1, GRIN1 AKR1B1 1087/4885PTGS2 3077/4885LMNA 2155/4885

“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.