SCHEMBL1610355

SCHEMBL1610355

[CH2]C(CCCCC)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SIGMAR1 Q99720 2/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
PGR P06401 1/20 0.31
PPARG P37231 2/20 0.30
SOAT1 P35610 1/20 0.30

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
SCHEMBL1611126 0.99 PNMT (0.40) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL1610539 0.96 PNMT (0.42) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL1611737 0.90 PNMT (0.44) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL6674618 0.86 PNMT (0.43) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL1611366 0.84 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27594318 0.83 PNMT (0.41) PNMTNPC1RAB9ASIGMAR1ALDH1A1
SCHEMBL27675984 0.83 PNMT (0.41) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL3031940 0.83 PNMT (0.41) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL6676496 0.81 PNMT (0.44) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL4556624 0.80 PNMT (0.43) PNMTNPC1RAB9ASIGMAR1HTR7

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.