SCHEMBL12366227

SCHEMBL12366227

CC1C=C(c2cc(Cl)ccc2Cl)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
SRD5A2 P31213 3/20 0.39
SRD5A1 P18405 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MCL1 Q07820 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TTR P02766 5/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.36
F11 P03951 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 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
SCHEMBL12366204 0.90 SRD5A2 (0.46) TDP1TSHRSRD5A2SRD5A1ALDH1A1
SCHEMBL12366031 0.89 TDP1 (0.39) TDP1TSHRSRD5A2SRD5A1MCL1
SCHEMBL12366276 0.89 TDP1 (0.39) TDP1TSHRSRD5A2SRD5A1ALDH1A1
SCHEMBL12366215 0.87 ALDH1A1 (0.43) TSHRALDH1A1KDM4ENPC1RAB9A
SCHEMBL12366231 0.86 SRD5A2 (0.41) TDP1TSHRSRD5A2SRD5A1ALDH1A1
SCHEMBL12366174 0.86 TDP1 (0.41) TDP1TSHRSRD5A2SRD5A1ALDH1A1
SCHEMBL12366009 0.85 SRD5A2 (0.40) TDP1TSHRSRD5A2SRD5A1MCL1
SCHEMBL12366617 0.84 SLC9A1 (0.47)
SCHEMBL12366205 0.82 TDP1 (0.40) TDP1TSHRMCL1TTR
SCHEMBL12366247 0.82 NAPRT (0.38) TDP1TSHRSRD5A2ALDH1A1MCL1

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 TDP1 378/4885TSHR 821/4885SRD5A2 412/4885

“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.