SCHEMBL91673

SCHEMBL91673

CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1SC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 2/20 0.55
CASP3 P42574 2/20 0.55
RAB9A P51151 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PLA2G1B P04054 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
AKR1B1 P15121 1/20 0.43
MAPK14 Q16539 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL86283 0.86 HSD17B3 (0.43) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL86191 0.81 ELANE (0.51) ALDH1A1AKR1B1MAPK14SMN1; SMN2ACHE
SCHEMBL31123671 0.78 ACHE (0.59) ALDH1A1L3MBTL1AKR1B1MAPK14SMN1; SMN2
SCHEMBL31510701 0.78 ACHE (0.59) ALDH1A1L3MBTL1AKR1B1MAPK14SMN1; SMN2
SCHEMBL86279 0.78 ACHE (0.59) ALDH1A1L3MBTL1AKR1B1MAPK14SMN1; SMN2
SCHEMBL86282 0.78 AKR1B1 (0.46) L3MBTL1AKR1B1MAPK14ACHENOTUM
SCHEMBL86333 0.78 AKR1B1 (0.46) ALDH1A1L3MBTL1AKR1B1MAPK14SMN1; SMN2
SCHEMBL13871237 0.78 NPC1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL86330 0.78 TDP1 (0.59) L3MBTL1AKR1B1MAPK14ACHEMAPK1
SCHEMBL86749 0.78 MAOB (0.54) L3MBTL1AKR1B1MAPK14ACHENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 ALDH1A1 440/4885NPC1 4271/4885CASP3 3774/4885

“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.