SCHEMBL12366154

SCHEMBL12366154

O=C(O)c1ccc2c(c1)C(c1c(F)cncc1F)=CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SRD5A2 P31213 4/20 0.38
▸ SRD5A1 P18405 3/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ AR P10275 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL12365441 0.87 TTR (0.45) ALDH1A1SRD5A2SRD5A1MAPK14TDP2
SCHEMBL12365239 0.87 MAPK14 (0.43) KDM4CALDH1A1SRD5A2SRD5A1MAPK14
SCHEMBL12365342 0.86 SRD5A2 (0.43) ALDH1A1SRD5A2SRD5A1MAPK14TDP2
SCHEMBL12366152 0.85 MAPK14 (0.41) KDM4CMAPK14CYP3A4CYP11B2ROCK2
SCHEMBL12365863 0.85 KDM4C (0.47) KDM4CALDH1A1SRD5A2SRD5A1MAPK14
SCHEMBL12366114 0.85 SRD5A2 (0.40) KDM4CALDH1A1SRD5A2SRD5A1HCAR2
SCHEMBL12365445 0.84 ALDH1A1 (0.40) KDM4CALDH1A1SRD5A2SRD5A1MAPK14
SCHEMBL2262833 0.83 HTR5A (0.51) —
SCHEMBL12365539 0.82 HCAR2 (0.43) KDM4CALDH1A1SRD5A2SRD5A1MAPK14
SCHEMBL12365395 0.81 LMNA (0.46) ALDH1A1SRD5A2SRD5A1MAPK14LMNA

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4C 1796/4885ALDH1A1 934/4885SRD5A2 412/4885

“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.

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