SCHEMBL5117027

SCHEMBL5117027

O/N=C1\CCCc2cc(-c3ccc(F)c(F)c3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 3/20 0.43
CYP11B2 P19099 3/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HSD17B1 P14061 2/20 0.42
CYP17A1 P05093 2/20 0.41
CYP11B1 P15538 1/20 0.41
BRAF P15056 9/20 0.40
MAPK3 P27361 8/20 0.40
MAPK1 P28482 8/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BMPR1B O00238 1/20 0.36
CIT O14578 1/20 0.36
RIPK2 O43353 1/20 0.36
STK10 O94804 1/20 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
SCHEMBL5117032 1.00 HTT (0.47) HTTHPGDL3MBTL1CYP3A4CYP11B2
SCHEMBL30996925 0.88 HSD17B1 (0.57) HTTHPGDL3MBTL1CYP3A4CYP11B2
SCHEMBL5123694 0.87 HTT (0.51) HTTHPGDL3MBTL1HSD17B1BRAF
SCHEMBL5123691 0.87 HTT (0.51) HTTHPGDL3MBTL1HSD17B1BRAF
SCHEMBL5118121 0.83 HTT (0.61) HTTHPGDL3MBTL1HSD17B1BRAF
SCHEMBL5118128 0.83 HTT (0.61) HTTHPGDL3MBTL1HSD17B1BRAF
SCHEMBL5116955 0.82 PARP10 (0.50) HTTHPGDL3MBTL1HRH3HSD17B1
SCHEMBL5116961 0.82 PARP10 (0.50) HTTHPGDL3MBTL1HRH3HSD17B1
SCHEMBL9488600 0.81 HPGD (0.57) HTTHPGDL3MBTL1HRH3HSD17B1
SCHEMBL5123716 0.79 HTT (0.56) HTTHPGDL3MBTL1HSD17B1BRAF

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-7414142-B2 5-aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators WYETH (US) 2008-08-19 US disclosed
US-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 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-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators CYP19A1, PGR, GNRHR HTT 4288/4885HPGD 208/4885L3MBTL1 3956/4885

“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.