SCHEMBL13818940

SCHEMBL13818940

CCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(OC)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.38
VNN1 O95497 1/20 0.37
SRD5A2 P31213 2/20 0.36
MEN1 O00255 1/20 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
SCHEMBL13819036 0.92 MAPK1 (0.40) RAB9ANPC1POLBCYP2C9MAPT
SCHEMBL13818909 0.89 NPC1 (0.43) RAB9ANPC1POLBCYP2C9MAPT
SCHEMBL13329348 0.85 NPC1 (0.41) RAB9ANPC1POLBCYP2C9MAPT
SCHEMBL13321953 0.85 NPC1 (0.40) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL13321955 0.83 MAPT (0.41) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL15760410 0.83 RAB9A (0.43) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL9914259 0.83 RAB9A (0.43) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL13321950 0.83 RAB9A (0.43) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL13882640 0.83 RAB9A (0.43) RAB9ANPC1MAPTMAPK1KMT2A
SCHEMBL14514249 0.83 RAB9A (0.43) RAB9ANPC1MAPTMAPK1KMT2A

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 RAB9A 3087/4885NPC1 4055/4885POLB 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.