SCHEMBL9909362

SCHEMBL9909362

COC(=O)C[C@H](C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KCNA5 P22460 3/20 0.55
RAB9A P51151 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
FFAR1 O14842 1/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL1894982 1.00 HPGD (0.56) HPGDALDH1A1KCNA5RAB9ACYP3A4
SCHEMBL490286 0.84 ALDH1A1 (0.50) HPGDALDH1A1KCNA5RAB9ACYP3A4
SCHEMBL2347309 0.84 HPGD (0.57) HPGDALDH1A1KCNA5KMT2ATSHR
SCHEMBL5791483 0.84 GRIA4 (0.49) HPGDALDH1A1KCNA5RAB9AKMT2A
SCHEMBL24155793 0.83 HPGD (0.63) HPGDALDH1A1RAB9ACYP3A4CYP2C19
SCHEMBL27562400 0.83 KCNA5 (0.48) HPGDALDH1A1KCNA5RAB9ACYP3A4
SCHEMBL2881396 0.83 ESR1 (0.48) HPGDALDH1A1RAB9AFFAR1CA12
SCHEMBL11442263 0.83 TSHR (0.58) HPGDALDH1A1RAB9ACYP3A4CYP2C19
SCHEMBL17754960 0.83 RAB9A (0.51) ALDH1A1RAB9AKMT2ANPSR1MEN1
SCHEMBL14567176 0.83 ESR1 (0.48) HPGDALDH1A1RAB9AFFAR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2021-08-19 US disclosed
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2021-06-08 US disclosed
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-05-28 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2011-05-26 US disclosed
EP-0997534-B1 Process for the resolution of racemic arylalkylcarboxylic acid esters BASF AG (DE) 2007-04-18 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 (5 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-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 HPGD 2022/4885ALDH1A1 4036/4885KCNA5 1156/4885
US-20210252103-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 HPGD 1460/4885ALDH1A1 4739/4885KCNA5 2567/4885
US-11026993-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 HPGD 1460/4885ALDH1A1 4739/4885KCNA5 2567/4885
US-20110123555-A1 PREPARATION AND UTILITY OF CCR5 INHIBITORS CCR5, CCR8, CCL5 HPGD 1022/4885ALDH1A1 1332/4885KCNA5 4326/4885
US-20200164024-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 HPGD 1460/4885ALDH1A1 4739/4885KCNA5 2567/4885

“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.