SCHEMBL12365837

SCHEMBL12365837

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ STIM1 Q13586 2/20 0.40
▸ ORAI1 Q96D31 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ GRK6 P43250 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL12365375 0.91 KDM4E (0.45) KDM4ELMNAMAPK1HTTRAB9A
SCHEMBL12365827 0.90 CA1 (0.41) KDM4ERAB9AMAPK14CA1CA2
SCHEMBL12366899 0.85 SLC9A1 (0.40) KDM4EMAPK14GRK6
SCHEMBL12389015 0.85 LMNA (0.49) KDM4ELMNAMAPK1HTTCA1
SCHEMBL12365047 0.85 KDM4E (0.46) KDM4ELMNAMAPK1HTTRAB9A
SCHEMBL12365395 0.85 LMNA (0.46) KDM4ELMNAMAPK1HTTRAB9A
SCHEMBL12365414 0.84 MAPK14 (0.45) MAPK14GRK6MEN1GAAKMT2A
SCHEMBL12388304 0.83 EPHX2 (0.42) KDM4ELMNAMAPK14CA1CA2
SCHEMBL12388903 0.83 RARA (0.50) KDM4ELMNARAB9ACA1CA2
SCHEMBL12365839 0.83 SRD5A2 (0.49) MAPK14GRK6ALDH1A1

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 KDM4E 1455/4885LMNA 3515/4885MAPK1 3710/4885

“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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