SCHEMBL1610685

SCHEMBL1610685

[CH]=C(CCCCC)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.48
CNR1 P21554 11/20 0.48
CYP2C9 P11712 2/20 0.48
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1612234 0.98 CNR2 (0.49) CNR2CNR1CYP2C9SLC6A3
SCHEMBL1611135 0.95 CNR2 (0.47) CNR2CNR1CYP2C9SLC6A3KDM4E
SCHEMBL1611743 0.90 MEN1 (0.47) CNR2CNR1CYP2C9KDM4EMEN1
SCHEMBL1611553 0.86 KDM4E (0.45) CNR2CNR1CYP2C9KDM4EALDH1A1
SCHEMBL1610986 0.84 ALDH1A1 (0.44) CNR2CNR1CYP2C9KDM4EALDH1A1
SCHEMBL3243540 0.83 CNR2 (0.50) CNR2CNR1CYP2C9SLC6A3KDM4E
SCHEMBL28039091 0.81 CNR2 (0.51) CNR2CNR1CYP2C9SLC6A3KDM4E
SCHEMBL28039330 0.81 CNR2 (0.51) CNR2CNR1CYP2C9SLC6A3KDM4E
SCHEMBL6423825 0.81 CNR2 (0.51) CNR2CNR1CYP2C9SLC6A3KDM4E
SCHEMBL1610799 0.81 KDM4E (0.46) CNR2CNR1CYP2C9KDM4EMEN1

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 3 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
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 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 CNR2 3192/4885CNR1 3215/4885CYP2C9 823/4885

“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.