SCHEMBL17014471

SCHEMBL17014471

COc1cccc2c1CCC21CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 1/20 0.42
ADRA2A P08913 1/20 0.41
SRD5A1 P18405 3/20 0.38
SRD5A2 P31213 3/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 2/20 0.36

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
SCHEMBL17014529 0.91 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTADRA2ASRD5A1
SCHEMBL17014372 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTADRA2ASRD5A1
SCHEMBL17014487 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTADRA2ASRD5A1
SCHEMBL17014479 0.80 DRD2 (0.49) ALDH1A1CYP3A4MAPTADRA2ADRD2
SCHEMBL17014495 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTADRA2ASRD5A1
SCHEMBL17014462 0.76 ADRA2A (0.34) ALDH1A1CYP3A4MAPTADRA2ADRD2
SCHEMBL17014528 0.71 ADRA2A (0.33) ALDH1A1ADRA2A
SCHEMBL10609283 0.70 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTSRD5A1SRD5A2
SCHEMBL12260114 0.69 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTADRA2ASRD5A1
SCHEMBL8257850 0.69 KCNH2 (0.41) ALDH1A1CYP3A4MAPTDRD2DRD3

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
EP-2900656-B1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO LTD (CN) 2017-05-17 EP disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 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-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD ALDH1A1 588/4885CYP3A4 59/4885MAPT 24/4885

“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.