SCHEMBL15326014

SCHEMBL15326014

C=CC(=O)c1cc(C(C)C)c(OCc2ccc(OC)cc2)cc1OCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.46
FFAR1 O14842 4/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TNFRSF1A P19438 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
FLT3 P36888 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMPD1 P17405 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL184621 0.86 RAB9A (0.52) HDAC8FFAR1NPC1RAB9APOLB
SCHEMBL21644545 0.86 HDAC8 (0.46) HDAC8FFAR1NPC1RAB9APOLB
SCHEMBL20509060 0.82 PDE4A (0.57) HDAC8NPC1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL30779569 0.82 PDE4A (0.57) HDAC8NPC1RAB9ASMN1; SMN2TNFRSF1A
SCHEMBL20509709 0.82 PDE4A (0.60) POLBTNFRSF1AMAPTALDH1A1HTT
SCHEMBL30779625 0.82 PDE4A (0.60) POLBTNFRSF1AMAPTALDH1A1HTT
SCHEMBL15326013 0.81 FFAR1 (0.44) HDAC8FFAR1NPC1RAB9APOLB
SCHEMBL30779641 0.79 NPC1 (0.48) HDAC8NPC1RAB9APOLBSMN1; SMN2
SCHEMBL15320729 0.79 NPC1 (0.48) HDAC8NPC1RAB9APOLBSMN1; SMN2
SCHEMBL15320842 0.75 HDAC8 (0.46) HDAC8FFAR1NPC1RAB9AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119395-A1 NOVEL TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2015-04-30 US disclosed
WO-2013152206-A1 NOVEL TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-10-10 WO 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-20150119395-A1 NOVEL TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P HDAC8 49/4885FFAR1 4757/4885NPC1 1964/4885

“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.