SCHEMBL12365029

SCHEMBL12365029

[C-]#[N+]c1ccccc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 5/20 0.46
▸ SRD5A1 P18405 4/20 0.46
▸ TTR P02766 1/20 0.39
▸ PTPRC P08575 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ HSP90AA1 P07900 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
SCHEMBL12365963 0.88 SRD5A2 (0.39) SRD5A2SRD5A1TTRPTPRCALDH1A1
SCHEMBL12365322 0.88 SRD5A2 (0.38) SRD5A2SRD5A1ALDH1A1HPGDKDM4E
SCHEMBL12365025 0.86 PDK2 (0.40) PTPRCALDH1A1KMT2APDK2HPGD
SCHEMBL12366052 0.85 SRD5A2 (0.49) SRD5A2SRD5A1TTRALDH1A1TDP2
SCHEMBL12365096 0.85 MAPK14 (0.42) SRD5A2SRD5A1TTRALDH1A1TDP2
SCHEMBL12365878 0.84 MAPK14 (0.39) SRD5A2SRD5A1ALDH1A1KMT2ANOTUM
SCHEMBL12366688 0.84 HTR2B (0.49) —
SCHEMBL12365949 0.82 TTR (0.38) SRD5A2SRD5A1TTRALDH1A1PDK2
SCHEMBL12365323 0.82 KDM4E (0.43) SRD5A2SRD5A1ALDH1A1KMT2AKDM4E
SCHEMBL12365492 0.82 SRD5A2 (0.43) SRD5A2SRD5A1TTRPTPRCALDH1A1

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 247/4885TTR 3588/4885

“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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