SCHEMBL477603

SCHEMBL477603

CCC(CC)CC(O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
TRPA1 O75762 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
AOC3 Q16853 6/20 0.47
RIPK1 Q13546 1/20 0.47
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 1/20 0.41
CERT1 Q9Y5P4 1/20 0.41

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
SCHEMBL4957871 0.83 LMNA (0.68) LMNATRPA1KDM4EALDH1A1L3MBTL1
Phenylpropanol SCHEMBL56673 0.81 LMNA (1.00) LMNAKDM4EALDH1A1L3MBTL1AOC3
Phenylpropanol SCHEMBL27691663 0.81 LMNA (1.00) LMNAKDM4EALDH1A1L3MBTL1AOC3
Phenylpropanol SCHEMBL698860 0.81 LMNA (1.00) LMNAKDM4EALDH1A1L3MBTL1AOC3
Phenylpropanol SCHEMBL27878996 0.81 LMNA (1.00) LMNAKDM4EALDH1A1L3MBTL1AOC3
Phenylpropanol SCHEMBL539164 0.81 LMNA (1.00) LMNAKDM4EALDH1A1L3MBTL1AOC3
SCHEMBL75867 0.81 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL5502611 0.81 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL12213295 0.81 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL3096537 0.81 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1

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-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 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-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT LMNA 1422/4885TRPA1 440/4885KDM4E 2522/4885

“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.