SCHEMBL6506958

SCHEMBL6506958

CC(C)c1cccc(N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.85
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDK2 Q15119 1/20 0.44
CYP2C19 P33261 1/20 0.44
PANK3 Q9H999 1/20 0.43
ADAM10 O14672 1/20 0.43
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CASP3 P42574 1/20 0.43
RECQL P46063 1/20 0.43
GALK1 P51570 1/20 0.43
KMT2A Q03164 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
SCHEMBL23381187 0.92 NOTUM (1.00) NOTUM
SCHEMBL26816763 0.89 NOTUM (0.71) NOTUMHRH3PANK3ADAM10
SCHEMBL31381267 0.89 NOTUM (0.67) NOTUMKDM4EPDK2CYP2C19SERPINE1
SCHEMBL23380257 0.85 NOTUM (0.80) NOTUMHRH3PANK3ADAM10KMT2A
SCHEMBL28332852 0.84 NOTUM (0.85) NOTUMKDM4EHSD17B10KMT2A
SCHEMBL25618881 0.83 NOTUM (0.64) NOTUMHRH3PANK3ADAM10
SCHEMBL25605922 0.82 NOTUM (0.62) NOTUMHRH3KDM4EHPGDPANK3
SCHEMBL14923969 0.82 NOTUM (0.58) NOTUMHRH3KDM4EUSP2HPGD
SCHEMBL6526867 0.82 NOTUM (0.62) NOTUMKDM4EHPGDPDK2MAPT
SCHEMBL5800964 0.81 NOTUM (0.83) NOTUMKDM4EUSP2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 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 (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-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 NOTUM 2359/4885HRH3 1559/4885KDM4E 1695/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 NOTUM 2359/4885HRH3 1559/4885KDM4E 1695/4885

“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.