SCHEMBL12814964

SCHEMBL12814964

CC1=CCC(C(c2cccc(C)c2)c2cccc(C)c2)=C1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
ACP3 P15309 1/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
AOC3 Q16853 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP19A1 P11511 2/20 0.32
CYP11B2 P19099 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 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
Hydrochloric Acid SCHEMBL16458869 0.82 ACHE (0.33) ACHEACP3MAPTGAAMGAM
Hydrochloric Acid SCHEMBL16459202 0.82 ACHE (0.33) ACHEACP3MAPTGAAMGAM
SCHEMBL16458906 0.82
SCHEMBL12815415 0.82 SLC6A2 (0.34) ACP3GAAALDH1A1
SCHEMBL8784945 0.74 ACHE (0.58) ACHEACP3MAPTGAAMGAM
SCHEMBL12815972 0.74 ACHE (0.38) ACHEACP3MAPTGAAMGAM
SCHEMBL12814410 0.72 MGAM (0.40) ACHEACP3MAPTGAAMGAM
Hydrochloric Acid SCHEMBL16458454 0.72 ACP3 (0.31) ACHEACP3MAPTGAAMGAM
Hydrochloric Acid SCHEMBL16458663 0.72 ACP3 (0.31) ACHEACP3MAPTGAAMGAM
Hydrochloric Acid SCHEMBL16459105 0.71 AOC3 (0.31) ACP3MAPTAOC3CYP11B1CYP19A1

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 ACHE 446/4885ACP3 1243/4885MAPT 3158/4885

“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.