SCHEMBL477598

SCHEMBL477598

CCCC(C)(C)Cc1ccccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
HTR1A P08908 1/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
AR P10275 1/20 0.32
KLF10 Q13118 1/20 0.32
REN P00797 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL19852283 0.85 PDCD1 (0.38) CYP4F2CYP4A11PDCD1CD274APOBEC3G
SCHEMBL358741 0.79 RIPK1 (0.47) CYP4F2CYP4A11PDCD1CD274APOBEC3G
SCHEMBL13930856 0.76 IDO1 (0.43)
SCHEMBL19388206 0.76 RIPK1 (0.42)
SCHEMBL21727713 0.75 APOBEC3G (0.40) CYP4F2CYP4A11PDCD1CD274APOBEC3G
SCHEMBL12981181 0.73 ESR1 (0.46) CNR1CNR2ESR1ESR2AR
SCHEMBL23222259 0.73 IDO1 (0.46) GAA
SCHEMBL29366632 0.72 APOBEC3G (0.60) CYP4F2CYP4A11PDCD1CD274APOBEC3G
SCHEMBL41139 0.72 APOBEC3G (0.60) CYP4F2CYP4A11PDCD1CD274APOBEC3G
SCHEMBL282444 0.72 CYP4F2 (0.53) CYP4F2CYP4A11PDCD1CD274APOBEC3G

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 25/4885PDCD1 4265/4885

“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.