SCHEMBL12366231

SCHEMBL12366231

Cc1cc(Cl)ccc1C1=CC(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.41
SRD5A1 P18405 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
TTR P02766 5/20 0.36
MCL1 Q07820 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35

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
SCHEMBL12366276 0.90 TDP1 (0.39) SRD5A2SRD5A1TDP1KDM4EALDH1A1
SCHEMBL12366204 0.89 SRD5A2 (0.46) SRD5A2SRD5A1TDP1KDM4CKDM4E
SCHEMBL12366214 0.87 MEN1 (0.37) KDM4EALDH1A1L3MBTL1MCL1NPC1
SCHEMBL12366009 0.87 SRD5A2 (0.40) SRD5A2SRD5A1TDP1KDM5BMRGPRX4
SCHEMBL12366227 0.86 TDP1 (0.40) SRD5A2SRD5A1TDP1KDM4EALDH1A1
SCHEMBL12366309 0.85 TDP1 (0.39) TDP1KDM4CKDM5BKDM4EALDH1A1
SCHEMBL12366031 0.85 TDP1 (0.39) SRD5A2SRD5A1TDP1MRGPRX4TTR
SCHEMBL12366619 0.84 HTR2B (0.48)
SCHEMBL12365227 0.84 TDP1 (0.42) TDP1KDM4EALDH1A1GAAL3MBTL1
SCHEMBL12366174 0.80 TDP1 (0.41) SRD5A2SRD5A1TDP1KDM4EALDH1A1

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 247/4885TDP1 378/4885

“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.