SCHEMBL12388304

SCHEMBL12388304

COc1ccc(C2=CCCc3ccc(C(=O)O)cc32)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ CYP24A1 Q07973 2/20 0.38
▸ CYP27A1 Q02318 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38

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
SCHEMBL12389088 0.90 EPHX2 (0.44) EPHX2KDM4EGLAMAPK14MPO
SCHEMBL12389901 0.86 SLC9A1 (0.47) EPHX2
SCHEMBL12365375 0.85 KDM4E (0.45) KDM4EGLAMAPK14MPOAKR1C3
SCHEMBL12365047 0.84 KDM4E (0.46) KDM4ESRD5A2GLAMPOAKR1C3
SCHEMBL12389015 0.84 LMNA (0.49) KDM4EGLAMPOCA1CA2
SCHEMBL12389867 0.84 RXRA (0.41) SRD5A2MAPK14
SCHEMBL12365837 0.83 KDM4E (0.45) KDM4EMAPK14MPOAKR1C3CA1
SCHEMBL12389569 0.82 SRD5A2 (0.46) EPHX2MRGPRX4SRD5A2
SCHEMBL12365323 0.81 KDM4E (0.43) KDM4ESRD5A2GLAMPOAKR1C3
SCHEMBL12389608 0.80 KDM4E (0.42) KDM4EGLAMPOCA1CA2

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 EPHX2 1910/4885KDM4E 1455/4885MRGPRX4 2358/4885

“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.

Send feedback