SCHEMBL477350

SCHEMBL477350

CCC(C)Cc1ccccc1CO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
APOBEC3G Q9HC16 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TRPA1 O75762 5/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL7630641 0.89 GABRA1 (0.39) SLC6A2SLC6A4SLC6A3GABRA1GABRB2
SCHEMBL19120903 0.83 SLC6A2 (0.40) SLC6A2SLC6A4GABRA1GABRB2TRPA1
SCHEMBL477605 0.81 CYP4F2 (0.41) CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4
SCHEMBL6681981 0.80 GABRA1 (0.58) CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4
SCHEMBL23153080 0.79 TSHR (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3959615 0.79 TSHR (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1129263 0.78 CYP2D6 (0.41) CYP4F2CYP4A11CYP2D6SLC6A2SLC6A4
SCHEMBL27894267 0.77 SLC6A2 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9193881 0.77 MMP1 (0.35) SLC6A2SLC6A4SLC6A3GABRA1GABRB2
SCHEMBL7739069 0.77 TAAR1 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
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 (2 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-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP CYP4F2 750/4885CYP4A11 915/4885CYP2D6 26/4885
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.