SCHEMBL12366204

SCHEMBL12366204

CC1C=C(c2ccc(Cl)cc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.46
SRD5A1 P18405 1/20 0.42
MCL1 Q07820 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
TTR P02766 5/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 2/20 0.36
ALPL P05186 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
SCHEMBL12366227 0.90 TDP1 (0.40) SRD5A2SRD5A1MCL1TDP1TTR
SCHEMBL12366231 0.89 SRD5A2 (0.41) SRD5A2SRD5A1MCL1TDP1TTR
SCHEMBL12366009 0.88 SRD5A2 (0.40) SRD5A2SRD5A1MCL1TDP1TTR
SCHEMBL12366177 0.88 TDP1 (0.39) SRD5A2TDP1TTRTSHR
SCHEMBL12366191 0.87 SLC6A3 (0.46) SRD5A2MCL1KDM4ENPC1RAB9A
SCHEMBL12366276 0.86 TDP1 (0.39) SRD5A2SRD5A1MCL1TDP1TTR
SCHEMBL12366031 0.86 TDP1 (0.39) SRD5A2SRD5A1MCL1TDP1TTR
SCHEMBL12366174 0.86 TDP1 (0.41) SRD5A2SRD5A1MCL1TDP1TTR
SCHEMBL2261400 0.84 HTR2B (0.49)
SCHEMBL12366205 0.82 TDP1 (0.40) MCL1TDP1TTRMRGPRX4TSHR

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 247/4885MCL1 2387/4885

“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.