SCHEMBL13819210

SCHEMBL13819210

CCC(C)(C)Oc1c(C)cc(C2(c3cc(C)c(Oc4ccc(C(=O)c5ccc(C(C)(C)CC)cc5)cc4)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 1/20 0.33
SRD5A2 P31213 1/20 0.31
CASP1 P29466 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PDK2 Q15119 2/20 0.31
FGFR2 P21802 1/20 0.30

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
SCHEMBL13522282 0.94 HRH2 (0.35) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL14401995 0.85 ESR1 (0.34) NPC1RAB9APOLBCYP2C9ESR1
SCHEMBL13819209 0.80 NPC1 (0.39) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL13818940 0.79 RAB9A (0.46) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL13329348 0.77 NPC1 (0.41) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL12463907 0.77 SRD5A2 (0.35) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL13522285 0.77 NPC1 (0.37) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL13520473 0.76 ESR1 (0.40) POLBLMNAESR1ESR2SRD5A2
SCHEMBL13818909 0.76 NPC1 (0.43) NPC1RAB9APOLBCYP2C9LMNA
SCHEMBL14401994 0.73 ESR1 (0.37) NPC1RAB9APOLBCYP2C9LMNA

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-20090149625-A1 AROMATIC COMPOUND HAVING FLUORENE SKELETON AND POLYARYLENE HAVING SULFONIC ACID GROUP JSR CORPORATION (JP) 2009-06-11 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-20090149625-A1 AROMATIC COMPOUND HAVING FLUORENE SKELETON AND POLYARYLENE HAVING SULFONIC ACID GROUP AFF2, FGFR1, FUS NPC1 4055/4885RAB9A 3087/4885POLB 2522/4885

“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.