SCHEMBL4886568

SCHEMBL4886568

c1ccc(COc2cc3cc(-c4ccccc4)[nH]c3cc2OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.55
SRD5A1 P18405 1/20 0.55
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PPARG P37231 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP19A1 P11511 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
IMPDH2 P12268 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CTSV O60911 3/20 0.43
CTSL P07711 3/20 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
SCHEMBL6118358 0.89 NPC1 (0.49) SRD5A2SRD5A1NPC1RAB9APPARG
SCHEMBL4890578 0.81 KDM4E (0.64) SRD5A2NPC1RAB9APPARGKDM4E
SCHEMBL4890810 0.81 ALOX5 (0.57) SRD5A2NPC1RAB9AKDM4EMEN1
SCHEMBL9736136 0.80 SRD5A2 (0.60) SRD5A2SRD5A1KDM4EMAPTSMN1; SMN2
SCHEMBL14294320 0.79 NPC1 (0.51) NPC1RAB9APPARGKDM4EMEN1
SCHEMBL12124985 0.78 NPC1 (0.75) NPC1RAB9APPARGKDM4EMEN1
SCHEMBL7174812 0.77 SRD5A2 (0.88) SRD5A2SRD5A1KDM4EMEN1MAPT
SCHEMBL4147002 0.77 KDM4E (0.61) SRD5A2NPC1RAB9AKDM4EMEN1
SCHEMBL30751162 0.75 NPC1 (0.61) SRD5A2NPC1RAB9AKDM4EMEN1
SCHEMBL6535073 0.75 NPC1 (0.61) SRD5A2NPC1RAB9AKDM4EMEN1

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-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US 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

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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN SRD5A2 1166/4885SRD5A1 1585/4885NPC1 1583/4885

“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.