SCHEMBL1610022

SCHEMBL1610022

[CH]=CCc1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
RAPGEF4 Q8WZA2 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL900740 0.77 HRH3 (0.38) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL22296029 0.77 HRH3 (0.38) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL1610963 0.76 HRH3 (0.42) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL1609944 0.76 SLC11A2 (0.34)
SCHEMBL1611093 0.75 SLC11A2 (0.32)
SCHEMBL327402 0.75 GAA (0.40) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL1124861 0.75 HRH3 (0.36) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL1610999 0.75 RAPGEF4 (0.31) RAPGEF4KMT2A
SCHEMBL1609708 0.75 HRH3 (0.41) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL29099778 0.73 HRH3 (0.35) HRH3RAPGEF4CYP11B1CYP11B2HTR1D

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 119/4885RAPGEF4 4209/4885CYP11B1 1480/4885

“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.