SCHEMBL12366052

SCHEMBL12366052

[C-]#[N+]c1cc(Cl)ccc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 6/20 0.49
▸ SRD5A1 P18405 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.35
▸ TTR P02766 3/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP2 O95551 1/20 0.33
▸ F11 P03951 2/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ CDH1 P12830 1/20 0.33
▸ APC P25054 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ TCF7L2 Q9NQB0 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
SCHEMBL12365662 0.86 SLC6A3 (0.36) SRD5A2SRD5A1ALDH1A1MAPT
SCHEMBL12365096 0.86 MAPK14 (0.42) SRD5A2SRD5A1ALDH1A1TTRTDP2
SCHEMBL12365322 0.86 SRD5A2 (0.38) SRD5A2SRD5A1ALDH1A1TSHRMAPT
SCHEMBL12365029 0.85 SRD5A2 (0.46) SRD5A2SRD5A1ALDH1A1TTRHSP90AA1
SCHEMBL12365335 0.85 SRD5A2 (0.54) SRD5A2SRD5A1ALDH1A1TTRALOX15
SCHEMBL12366937 0.85 HTR2B (0.45) SRD5A2SRD5A1
SCHEMBL12365317 0.83 SRD5A2 (0.51) SRD5A2SRD5A1ALDH1A1TTRALOX15
SCHEMBL12365698 0.83 SRD5A2 (0.51) SRD5A2SRD5A1ALDH1A1TTRALOX15
SCHEMBL12365323 0.83 KDM4E (0.43) SRD5A2SRD5A1ALDH1A1MAPTAKR1C3
SCHEMBL12365839 0.81 SRD5A2 (0.49) SRD5A2SRD5A1ALDH1A1TTRALOX15

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-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 247/4885ALDH1A1 934/4885

“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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