SCHEMBL1611909

SCHEMBL1611909

[CH]=C(C)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTR2B P41595 3/20 0.51
HTR7 P34969 1/20 0.51
PNMT P11086 1/20 0.46
HSP90AA1 P07900 2/20 0.42
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
MAOA P21397 2/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
PGR P06401 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL3491774 0.82 NPC1 (0.59) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL1610944 0.81 HTR7 (0.48) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL5820630 0.81 HTR2B (0.57) NPC1RAB9AHTR2BHTR7PNMT
Fluorene SCHEMBL28131122 0.81 RAB9A (0.58) NPC1RAB9AHTR2BHTR7PNMT
Ammonia Solution, Strong SCHEMBL27320939 0.81 NPC1 (0.58) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL1610785 0.80 HTR7 (0.47) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL10911535 0.78 HTR2B (0.62) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL1610557 0.78 HTR7 (0.45) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL1611381 0.77 HTR7 (0.44) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL31229252 0.76 HSP90AA1 (0.67) NPC1RAB9AHTR2BHTR7PNMT

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 NPC1 3543/4885RAB9A 3050/4885HTR2B 291/4885

“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.