SCHEMBL12814909

SCHEMBL12814909

Cc1cccc(C(c2cccc(C)c2)(c2cccc(C)c2)C2C=Cc3ccccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACHE P22303 2/20 0.33
LMNA P02545 3/20 0.33
PTPN5 P54829 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
NFE2L2 Q16236 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 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
SCHEMBL16458904 0.87 TACR1 (0.36) CYP3A4CYP2D6KCNH2LMNAKDM4E
SCHEMBL12814844 0.81 HTR2A (0.35) HTR2ATSHR
SCHEMBL12814877 0.72 KIF11 (0.38) KIF11CYP3A4CYP2D6KCNH2CYP2C9
SCHEMBL12815944 0.71 SIGMAR1 (0.34) CYP3A4CYP2D6KCNH2LMNAKDM4E
SCHEMBL8142258 0.71 SIGMAR1 (0.34) CYP3A4CYP2D6KCNH2LMNAKDM4E
SCHEMBL1539718 0.71 HTR2A (0.35) HTR2ATSHR
SCHEMBL16457955 0.70 KIF11 (0.38) KIF11CYP3A4CYP2D6KCNH2CYP2C9
SCHEMBL1452608 0.70 HTR6 (0.41) CYP3A4CYP2D6KCNH2LMNAKDM4E
SCHEMBL1030004 0.70 HTR2A (0.38) CYP3A4CYP2D6KCNH2LMNAKDM4E
SCHEMBL136884 0.69 HTR2A (0.40) CYP3A4CYP2D6KCNH2LMNAKDM4E

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
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 KIF11 4803/4885CYP3A4 363/4885CYP2D6 547/4885

“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.