SCHEMBL4902813

SCHEMBL4902813

CCOC(=O)CC[C@@H](N)/C=C/[C@@H](O)Cc1cc(C)cc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NLRP3 Q96P20 1/20 0.35
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ANPEP P15144 1/20 0.32
TACR1 P25103 2/20 0.32
CYP4Z1 Q86W10 1/20 0.32
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31

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
Hydrochloric Acid SCHEMBL4902808 0.99 L3MBTL1 (0.36) L3MBTL1KMT2APOLBSLC7A5CYP4F2
Hydrochloric Acid SCHEMBL4902819 0.99 L3MBTL1 (0.36) L3MBTL1KMT2APOLBSLC7A5CYP4F2
SCHEMBL10210591 0.82 NPSR1 (0.40) KMT2APOLBCYP4F2CYP4A11CYP1A2
SCHEMBL4911646 0.77 CTSK (0.43) L3MBTL1CYP1A2TACR1
SCHEMBL16493531 0.77 CTSK (0.43) L3MBTL1CYP1A2TACR1
SCHEMBL4911639 0.77 CTSK (0.43) L3MBTL1CYP1A2TACR1
SCHEMBL28080073 0.73 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP4F2CYP4A11
SCHEMBL13198572 0.71 CYP4F2 (0.42) L3MBTL1KMT2ACYP4F2CYP4A11KDM4E
SCHEMBL29024345 0.69 CYP4F2 (0.61) CYP4F2CYP4A11NLRP3APPCYP1A2
SCHEMBL16387158 0.69 CYP1A2 (0.47) L3MBTL1KMT2APOLBCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586564-B1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICINAL USES THEREOF ONO PHARMACEUTICAL CO (JP) 2012-11-28 EP disclosed
EP-1586564-B1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICINAL USES THEREOF ONO PHARMACEUTICAL CO (JP) 2012-11-28 EP disclosed
US-20080033033-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. 2008-02-07 US disclosed
US-20080033033-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. 2008-02-07 US disclosed
US-7256211-B1 8-azaprostaglandin derivatives and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-14 US disclosed
US-7256211-B1 8-azaprostaglandin derivatives and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-14 US disclosed
EP-1586564-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICINAL USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-19 EP 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 (1 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-20080033033-A1 8-AZAPROSTAGLANDIN DERIVATIVES AND MEDICAL USE THEREOF HPGDS, PTGIS, PTGER4 L3MBTL1 2879/4885KMT2A 4128/4885POLB 4291/4885

“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.