SCHEMBL23400239

SCHEMBL23400239

Cc1cccc(-c2cc(O)n(CC(C)C)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.40
ICMT O60725 1/20 0.38
IDO1 P14902 1/20 0.38
METAP2 P50579 1/20 0.38
LMNA P02545 2/20 0.37
KMO O15229 2/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL23401568 0.85 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL23398474 0.84 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23398865 0.84 MEN1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23400166 0.81 TLR8 (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23402054 0.79 TLR8 (0.48) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23399127 0.78 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23401693 0.77 NR1H2 (0.43) ICMTLMNAHDAC8HDAC6NR1H2
SCHEMBL23400395 0.77 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL23401375 0.75 RAB9A (0.39) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL23402778 0.75 NPC1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20170001996-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-01-05 US 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-20170001996-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 NPC1 508/4885RAB9A 1960/4885KDM4E 3347/4885

“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.