SCHEMBL12365397

SCHEMBL12365397

O=C(O)c1ccc2c(c1)C(c1ccc(F)c(F)c1F)=CCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 5/20 0.41
▸ SRD5A1 P18405 4/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ GRK6 P43250 1/20 0.37
▸ TDP2 O95551 1/20 0.36
▸ MPL P40238 1/20 0.35
▸ TTR P02766 2/20 0.35
▸ PTPRC P08575 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGER1 P34995 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL12365412 0.88 SRD5A2 (0.43) SRD5A2SRD5A1MAPK14ALDH1A1NOTUM
SCHEMBL12365445 0.88 ALDH1A1 (0.40) SRD5A2SRD5A1MAPK14ALDH1A1NOTUM
SCHEMBL12365389 0.86 MAPK14 (0.45) MAPK14ALDH1A1PTPRC
SCHEMBL13384528 0.85 ALDH1A1 (0.36) MAPK14ALDH1A1GAALMNARAB9A
SCHEMBL12365317 0.85 SRD5A2 (0.51) SRD5A2SRD5A1MAPK14ALDH1A1TTR
SCHEMBL12365411 0.84 MAPK14 (0.50) SRD5A2SRD5A1MAPK14ALDH1A1TTR
SCHEMBL12365414 0.84 MAPK14 (0.45) SRD5A2SRD5A1MAPK14ALDH1A1GRK6
SCHEMBL12365336 0.84 ALDH1A1 (0.41) SRD5A2SRD5A1MAPK14ALDH1A1GRK6
SCHEMBL12366787 0.83 HTR2B (0.45) —
SCHEMBL12365839 0.83 SRD5A2 (0.49) SRD5A2SRD5A1MAPK14ALDH1A1GRK6

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 SRD5A2 412/4885SRD5A1 247/4885MAPK14 3304/4885

“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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