SCHEMBL12814722

SCHEMBL12814722

CC(C)C1=C(C(c2ccccc2)c2ccccc2)CC=C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
MC4R P32245 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12815870 0.77 SLC6A2 (0.34) CYP2D6SLC6A2SLC6A4SLC6A3GAA
SCHEMBL12814593 0.74 HTR2A (0.35) SLC6A2SLC6A4SLC6A3TAAR1ADRA2A
SCHEMBL12815023 0.73 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL16317535 0.73 KDM4E (0.33) KDM4E
SCHEMBL12814451 0.72 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3GAAL3MBTL1
SCHEMBL12814411 0.71 HTR2A (0.34) TAAR1LMNA
SCHEMBL12815387 0.69 CALM1 (0.38) CYP2D6SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL4576042 0.68 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4599967 0.67 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7941030 0.67 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3

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 CYP2D6 547/4885SLC6A2 4749/4885SLC6A4 4714/4885

“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.