SCHEMBL12365003

SCHEMBL12365003

O=C(O)c1ccc2c(c1)C(c1ccccc1F)=CCC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.49
▸ SRD5A1 P18405 2/20 0.49
▸ TTR P02766 2/20 0.42
▸ PTGER1 P34995 1/20 0.41
▸ PTPRC P08575 2/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ BLVRB P30043 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36

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 0.90 SRD5A2 (0.43) SRD5A2SRD5A1TTRPTGER1PTPRC
SCHEMBL12365869 0.88 SRD5A2 (0.43) SRD5A2SRD5A1TTRPTGER1PTPRC
SCHEMBL12365692 0.87 SRD5A2 (0.42) SRD5A2SRD5A1TTRPTGER1PTPRC
SCHEMBL12365441 0.86 TTR (0.45) SRD5A2SRD5A1TTRPTPRCPDK2
SCHEMBL12365411 0.85 MAPK14 (0.50) SRD5A2SRD5A1TTRALDH1A1KMT2A
SCHEMBL12365414 0.85 MAPK14 (0.45) SRD5A2SRD5A1PTGER1ALDH1A1KMT2A
SCHEMBL12365336 0.85 ALDH1A1 (0.41) SRD5A2SRD5A1TTRPDK2ALDH1A1
SCHEMBL12365080 0.85 SRD5A2 (0.50) SRD5A2SRD5A1TTRPTPRCPDK2
SCHEMBL12364995 0.85 PDK2 (0.45) PDK2ALDH1A1KMT2AMAPK14
SCHEMBL12390277 0.84 LMNA (0.40) SRD5A2SRD5A1PTGER1PDK2ALDH1A1

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 3 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
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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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