SCHEMBL1611366

SCHEMBL1611366

[CH2]C(CC)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PGR P06401 1/20 0.34
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL1611737 0.88 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1610539 0.85 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1610355 0.84 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6674901 0.83 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1611126 0.83 PNMT (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1609628 0.81 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL10781023 0.81 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL20719999 0.78 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6672847 0.78 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6675580 0.78 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 PNMT 970/4885NPC1 3543/4885RAB9A 3050/4885

“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.