SCHEMBL490437

SCHEMBL490437

COc1cc(OC)c(OC)cc1CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.51
TAAR1 Q96RJ0 1/20 0.47
HMGCR P04035 1/20 0.47
GLA P06280 1/20 0.47
STING1 Q86WV6 3/20 0.47
CYP19A1 P11511 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
IMPDH2 P12268 1/20 0.44
LMNA P02545 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL30871956 1.00 CYP3A4 (0.56) CYP3A4NPSR1POLBTAAR1HMGCR
SCHEMBL7827237 0.96 NPSR1 (0.55) CYP3A4NPSR1POLBTAAR1HMGCR
SCHEMBL11331668 0.87 TAAR1 (0.59) CYP3A4NPSR1POLBTAAR1STING1
Butyric Acid SCHEMBL28877004 0.86 HMGCR (0.59) CYP3A4TAAR1HMGCRSTING1CYP19A1
SCHEMBL21186320 0.85 CYP3A4 (0.67) CYP3A4TAAR1HMGCRGLACYP19A1
SCHEMBL7820588 0.84 SMN1; SMN2 (0.58) CYP3A4NPSR1POLBTAAR1KMT2A
SCHEMBL14441618 0.84 POLB (0.51) CYP3A4NPSR1POLBHMGCR
SCHEMBL19953777 0.81 POLB (0.61) CYP3A4NPSR1POLBHMGCRIMPDH2
SCHEMBL27834259 0.81 SLC2A1 (0.56) NPSR1POLBSTING1KMT2AMEN1
SCHEMBL7193965 0.80 CYP3A4 (0.51) CYP3A4NPSR1TAAR1HMGCRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995067-B2 Treatment of Fabry disease ACADEMIA SINICA (TW) 2021-05-04 US disclosed
US-20190225579-A1 TREATMENT OF FABRY DISEASE ACADEMIA SINICA (TW) 2019-07-25 US disclosed
EP-3471736-A1 TREATMENT OF FABRY DISEASE Academia Sinica (TW) 2019-04-24 EP disclosed
CN-109641005-A Treat Fabry disease 中央研究院 2019-04-16 CN disclosed
WO-2017222881-A1 TREATMENT OF FABRY DISEASE ACADEMIA SINICA (TW) 2017-12-28 WO 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
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
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
CN-1156443-A Benzocycloalkene compound, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-06 CN 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 (4 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-20190225579-A1 TREATMENT OF FABRY DISEASE GBA2, GBA1, GAA CYP3A4 4587/4885NPSR1 1914/4885POLB 1672/4885
US-20080152603-A1 Antioxidants GPX4, GPX1, CAT CYP3A4 392/4885NPSR1 2684/4885POLB 259/4885
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 CYP3A4 63/4885NPSR1 3626/4885POLB 236/4885
US-10995067-B2 Treatment of Fabry disease GBA2, GBA1, GAA CYP3A4 4587/4885NPSR1 1914/4885POLB 1672/4885

“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.