SCHEMBL3967701

SCHEMBL3967701

c1cc2c(c(-c3ccc4ccccc4n3)c1)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
HCRTR1 O43613 1/20 0.41
BCHE P06276 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 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
SCHEMBL30381746 0.79 NPC1 (0.45) ARNPC1RAB9AMEN1KMT2A
SCHEMBL1359763 0.79 NPC1 (0.45) ARNPC1RAB9AMEN1KMT2A
SCHEMBL30534893 0.78 NPC1 (0.44) ARNPC1RAB9AMEN1KMT2A
SCHEMBL3977581 0.74 NPC1 (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL12853993 0.73 PTGS2 (0.57) ARNPC1RAB9AMEN1KMT2A
SCHEMBL4974372 0.73 BCL2L1 (0.60) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL5216293 0.73 PDE10A (0.40) ARNPC1RAB9AMEN1KMT2A
SCHEMBL3367025 0.72 NPY5R (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL669871 0.72 RAB9A (0.55) ARNPC1RAB9AMEN1KMT2A
SCHEMBL31038112 0.72 AR (0.46) ARNPC1RAB9AMEN1KMT2A

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-20090043064-A1 METAL COMPLEX, POLYMER COMPOUND, AND DEVICE CONTAINING IT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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-20090043064-A1 METAL COMPLEX, POLYMER COMPOUND, AND DEVICE CONTAINING IT TIMCC, AP1M1, TXN AR 2890/4885NPC1 4118/4885RAB9A 1931/4885

“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.