SCHEMBL5116961

SCHEMBL5116961

ON=C1CCCc2cc(-c3cccc(F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
PARP11 Q9NR21 1/20 0.50
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
ESR2 Q92731 1/20 0.42
HTT P42858 1/20 0.42
HSD17B1 P14061 1/20 0.39
BRAF P15056 5/20 0.39
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK3 P27361 4/20 0.38
MAPK1 P28482 4/20 0.38
PDK2 Q15119 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL5116955 1.00 PARP10 (0.50) PARP10PARP11HPGDL3MBTL1HRH3
SCHEMBL9488600 0.85 HPGD (0.57) PARP10PARP11HPGDL3MBTL1HRH3
SCHEMBL22043642 0.83 L3MBTL1 (0.53) HPGDL3MBTL1HTTALDH1A1LMNA
SCHEMBL31552701 0.83 L3MBTL1 (0.53) HPGDL3MBTL1HTTALDH1A1LMNA
SCHEMBL5123716 0.83 HTT (0.56) PARP10PARP11HPGDL3MBTL1ESR2
SCHEMBL5123714 0.83 PARP10 (0.50) PARP10PARP11HPGDL3MBTL1HTT
SCHEMBL5123710 0.83 PARP10 (0.50) PARP10PARP11HPGDL3MBTL1HTT
SCHEMBL5123713 0.83 HTT (0.56) PARP10PARP11HPGDL3MBTL1ESR2
SCHEMBL5117027 0.82 HTT (0.47) HPGDL3MBTL1HRH3HTTHSD17B1
SCHEMBL5117032 0.82 HTT (0.47) HPGDL3MBTL1HRH3HTTHSD17B1

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 PARP10 1100/4885PARP11 1327/4885HPGD 208/4885

“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.