SCHEMBL17014337

SCHEMBL17014337

CC(=O)c1ccc(-c2ccc(C(C)=O)c3c2CCC3C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTGS1 P23219 1/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17014321 0.79 GSK3B (0.40) KMT2A
SCHEMBL10209946 0.77 HSD17B1 (0.46) HSD17B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17014323 0.76 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL17014336 0.76 DRD2 (0.37) MAPTSMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL10210076 0.75 HSD17B1 (0.47) HSD17B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12565576 0.75 HSD17B1 (0.47) HSD17B1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17014320 0.72 KDM4E (0.44) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL38658825 0.69 MAPT (0.34) MAPTSMN1; SMN2ESR2KMT2AMEN1
SCHEMBL5145610 0.67 HCAR2 (0.40) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL15692821 0.67 HSD17B1 (0.39) HSD17B1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B1 27/4885MAPT 24/4885SMN1; SMN2 2757/4885

“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.