SCHEMBL23370782

SCHEMBL23370782

CC(C)CC(c1ccc2c(c1)C(=O)c1ccccc1-2)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 4/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ELANE P08246 1/20 0.46
PLA2G1B P04054 3/20 0.42
ATG4B Q9Y4P1 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL2265041 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13310639 0.78 ELANE (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL31107058 0.78 ELANE (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2399978 0.77 ELANE (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9498049 0.77 ELANE (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29721579 0.77 ELANE (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL188872 0.76 ELANE (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10054911 0.75 ELANE (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL526598 0.75 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12726878 0.75 AKR1C3 (0.58) SMN1; SMN2ALDH1A1MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147347-A1 FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES BATTELLE MEMORIAL INSTITUTE (US) 2021-05-20 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-20210147347-A1 FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES NDUFV1, SCO2, NDUFS4 NPC1 2236/4885RAB9A 2448/4885SMN1; SMN2 3220/4885

“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.