SCHEMBL4901679

SCHEMBL4901679

CC(C)n1c(/C=C/C2CC(O)CC(=O)O2)c(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 10/20 0.52
▸ CYP2C9 P11712 3/20 0.51
▸ SIRT6 Q8N6T7 2/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ RXRA P19793 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ CCKAR P32238 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ SLC10A1 Q14973 1/20 0.51

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
SCHEMBL14544900 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL4020685 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL4901682 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL4020679 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9274196 1.00 HMGCR (0.52) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL16476432 0.92 HMGCR (0.43) HMGCR
SCHEMBL9763505 0.91 HMGCR (0.52) HMGCR
SCHEMBL1660810 0.91 HMGCR (0.52) HMGCR
SCHEMBL9763539 0.91 HMGCR (0.52) HMGCR
SCHEMBL5597970 0.91 HMGCR (0.52) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US claimed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 — — EP claimed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 — — WO claimed
US-20140140931-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER CEDARS-SINAI MEDICAL CENTER (US) 2014-05-22 — — US disclosed
US-20140140931-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER CEDARS-SINAI MEDICAL CENTER (US) 2014-05-22 — — US disclosed
WO-2013016696-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER CEDARS-SINAI MEDICAL CENTER (US) 2013-01-31 — — WO disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 — — EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 — — WO disclosed
EP-0379917-B1 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1995-08-09 — — EP disclosed
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 — — US disclosed
EP-0379917-A2 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1990-08-01 — — 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 (2 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN HMGCR 980/4885CYP2C9 26/4885SIRT6 2321/4885
US-20140140931-A1 ANTIOXIDANT, NEUROPROTECTIVE AND ANTINEOPLASTIC NANOPARTICLES COMPRISING A THERAPEUTIC AGENT ON AN AMPHIPHILIC SPACER OR AN AMPHIPHILIC POLYMER NLN, CASP12, GPX4 HMGCR 8/4885CYP2C9 3251/4885SIRT6 2410/4885

“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.

Send feedback