SCHEMBL477605

SCHEMBL477605

CCC(CC)Cc1ccccc1CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPA1 O75762 2/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
LMNA P02545 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL28376725 0.82 SLC6A2 (0.41) CYP2D6SLC6A2SLC6A4TRPA1LMNA
SCHEMBL477350 0.81 CYP4F2 (0.40) CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4
SCHEMBL8024422 0.77 CYP4F2 (0.43) CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4
SCHEMBL6681981 0.77 GABRA1 (0.58) CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4
SCHEMBL19465425 0.77 GABRA1 (0.37) CYP2D6GABRA1GABRB2
SCHEMBL20272797 0.76 TRPA1 (0.43) TRPA1LMNAGABRA1GABRB2
SCHEMBL18322713 0.76 TRPA1 (0.43) TRPA1LMNAGABRA1GABRB2
SCHEMBL1129263 0.76 CYP2D6 (0.41) CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4
SCHEMBL20694193 0.76 TAAR1 (0.45) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL41139 0.75 APOBEC3G (0.60) CYP4F2CYP4A11CYP2D6APOBEC3GPDCD1

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 CYP4F2 328/4885CYP4A11 25/4885CYP2D6 295/4885

“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.