SCHEMBL5757967

SCHEMBL5757967

COc1ccc(CCn2cnc(-c3ccc(OC)cc3O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 1/20 0.46
CALM1 P0DP23 2/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ESR1 P03372 1/20 0.45
CYP19A1 P11511 1/20 0.45
ESR2 Q92731 1/20 0.45
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL16033607 0.76 KDM5A (0.74)
SCHEMBL5757160 0.74 CYP1A2 (0.49) NFKB1NFKB2RELAESR1TP53
SCHEMBL5761329 0.70 CYP11B1 (0.54) HSP90AA1HSP90AB1RAB9AMAPTMEN1
SCHEMBL23124130 0.68 CDK5 (0.48) HSP90AA1CYP19A1SIGMAR1CYP3A4CYP2D6
SCHEMBL29786263 0.68 CDK5 (0.48) HSP90AA1CYP19A1SIGMAR1CYP3A4CYP2D6
SCHEMBL227115 0.68 ESR1 (0.73) CALM1NFKB1NFKB2RELAESR1
SCHEMBL19311955 0.68 MEN1 (0.57) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL23495565 0.68 MAPT (0.56) TP53TSHRRAB9AMAPTMEN1
SCHEMBL340086 0.68 NPC1 (0.60) ESR2ALOX15TP53CYP1A2CYP3A4
SCHEMBL8918413 0.68 MEN1 (0.51) HSP90AA1RAB9AMAPTMEN1LMNA

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-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
JP-2003500357-A 2003-01-07 JP claimed
EP-1194144-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP claimed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 WO claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 HSP90AA1 597/4885HSP90AB1 498/4885CALM1 3335/4885

“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.