SCHEMBL1610871

SCHEMBL1610871

[CH2]CCCCCCc1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1D P28221 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
HTR1B P28222 1/20 0.32
CCR5 P51681 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 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
SCHEMBL1610475 1.00 HRH3 (0.42) HRH3MAPTSMN1; SMN2HTR1DCYP11B1
SCHEMBL1610994 1.00 HRH3 (0.42) HRH3MAPTSMN1; SMN2HTR1DCYP11B1
SCHEMBL1611837 0.98 HRH3 (0.44) HRH3MAPTSMN1; SMN2HTR1DCYP11B1
SCHEMBL1612092 0.91 HRH3 (0.45) HRH3MAPTHTR1DCYP11B1CYP11B2
SCHEMBL1411872 0.83 HRH3 (0.47) HRH3MAPTHTR1DCYP11B1CYP11B2
SCHEMBL11046845 0.82 PTGS2 (0.38) MAPTSMN1; SMN2
SCHEMBL1611563 0.79 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL1609292 0.79 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL1610544 0.79 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL8733028 0.79 PTGS2 (0.48) HRH3CCR5

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 HRH3 119/4885MAPT 3838/4885SMN1; SMN2 3123/4885

“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.