SCHEMBL3420776

SCHEMBL3420776

CC(Cc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPK1 P28482 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
ELANE P08246 1/20 0.46
NR3C2 P08235 1/20 0.44
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATG4B Q9Y4P1 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
SCHEMBL233251 0.82 NPC1 (0.67) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL28689696 0.81 NPC1 (0.65) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL18685854 0.79 LMNA (0.46) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9069704 0.78 ESR1 (0.61) ESR1ESR2TAAR1TRPA1MAOB
SCHEMBL25381540 0.77 TAAR1 (0.52) NR3C2ESR1ESR2TAAR1
SCHEMBL3684825 0.76 TAAR1 (0.50) NR3C2ESR1ESR2TAAR1TRPA1
SCHEMBL31549986 0.75 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2LMNAMAPT
Anthraquinone SCHEMBL6310187 0.74 NPC1 (1.00) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL29352712 0.74 NPC1 (1.00) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL36840 0.74 NPC1 (1.00) NPC1RAB9AMAPK1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7670506-B1 Photoactive compositions for liquid deposition E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-02 US disclosed
US-20080160344-A1 Wet processing; thin films; electrolytic cells IDEMITSU KOSAN CO., LTD. (JP) 2008-07-03 US disclosed
US-7357991-B2 Mixture of electroluminescent compound and solvent; electrolytic cells IDEMITSU KOSAN CO., LTD. (JP) 2008-04-15 US disclosed
US-20050014017-A1 Mixture of electroluminescent compound and solvent; electrolytic cells IDEMITSU KOSAN CO., LTD. (JP) 2005-01-20 US disclosed
EP-1440959-A1 NOVEL SOLUBLE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2004-07-28 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-20080160344-A1 Wet processing; thin films; electrolytic cells EPCAM, L1CAM, IWS1 NPC1 3048/4885RAB9A 3270/4885MAPK1 1284/4885

“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.