SCHEMBL522585

SCHEMBL522585

[O]C(c1ccccc1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1E P28566 2/20 0.47
S1PR3 Q99500 2/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRM3 P20309 2/20 0.44
EPHX1 P07099 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 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
SCHEMBL9242025 0.98 IDO1 (0.53) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL18497695 0.91 IDO1 (0.48) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL3890245 0.77 IDO1 (0.50) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL6650399 0.76 GAA (0.55) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL11868512 0.76 IDO1 (0.53) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL23293250 0.76 IDO1 (0.53) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL1248051 0.74 IDO1 (0.57) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL11277736 0.74 IDO1 (0.57) IDO1LMNAMEN1KMT2AHTR1E
Hydrochloric Acid SCHEMBL28767977 0.74 IDO1 (0.55) IDO1LMNAMEN1KMT2AHTR1E
SCHEMBL13329672 0.73 IDO1 (0.46) IDO1LMNAMEN1KMT2AHTR1E

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 IDO1 3587/4885LMNA 4306/4885MEN1 2773/4885

“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.