SCHEMBL13380562

SCHEMBL13380562

CC1(C)Oc2ccccc2[C@@H]2O[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
ABCB1 P08183 3/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2B P41595 1/20 0.33
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.31
OPRD1 P41143 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 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
SCHEMBL7253544 1.00 IDO1 (0.44) IDO1KCNE1KCNQ1ABCB1HTT
SCHEMBL16377489 0.79 KCNE1 (0.38) IDO1KCNE1KCNQ1ABCB1HTT
SCHEMBL5868357 0.78 IDO1 (0.40) IDO1ABCB1ALDH1A1GAAHTR2B
SCHEMBL6274078 0.78 IDO1 (0.40) IDO1ABCB1ALDH1A1GAAHTR2B
SCHEMBL5868353 0.78 IDO1 (0.40) IDO1ABCB1ALDH1A1GAAHTR2B
SCHEMBL7299082 0.77 ABCC9 (0.36) IDO1
SCHEMBL482484 0.77 KCNE1 (0.47) KCNE1KCNQ1HTTHTR2BLMNA
SCHEMBL8947007 0.77 IDO1 (0.36) IDO1KCNE1KCNQ1ABCB1
SCHEMBL8947014 0.77 IDO1 (0.36) IDO1KCNE1KCNQ1ABCB1
SCHEMBL8947011 0.77 IDO1 (0.36) IDO1KCNE1KCNQ1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US 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-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE IDO1 2162/4885KCNE1 3393/4885KCNQ1 3973/4885

“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.