SCHEMBL16453465

SCHEMBL16453465

Cc1nc2cc(OCC34CC5CC(CC(C5)C3)C4)ccc2s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
P2RX7 Q99572 1/20 0.45
HSD17B10 Q99714 2/20 0.42
SCN9A Q15858 2/20 0.40
DHFR P00374 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3322776 0.81 PDE10A (0.45) PDE10AP2RX7HSD17B10NPC1RAB9A
SCHEMBL8244075 0.75 PDE10A (0.59) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL31487019 0.75 PDE10A (0.59) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL95592 0.74 PDE10A (0.58) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL5901373 0.73 PDE10A (0.51) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3960135 0.73 PDE10A (0.51) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3960133 0.73 PDE10A (0.51) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL12111148 0.73 PDE10A (0.56) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL10158220 0.73 PDE10A (0.56) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL31486540 0.73 PDE10A (0.56) PDE10AHSD17B10NPC1RAB9ASMN1; SMN2

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-8981086-B2 Phosphine-ligated palladium sulfonate palladacycles MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-17 US disclosed
US-20150045570-A1 PHOSPHINE-LIGATED PALLADIUM SULFONATE PALLADACYCLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 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-20150045570-A1 PHOSPHINE-LIGATED PALLADIUM SULFONATE PALLADACYCLES PHOSPHO1, PDCD1, PDCD1LG2 PDE10A 1064/4885P2RX7 2626/4885HSD17B10 4381/4885

“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.