SCHEMBL12389011

SCHEMBL12389011

COC(=O)c1ccc2c(c1)C(c1ccccc1OC(F)(F)F)=CCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NOTUM Q6P988 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 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
SCHEMBL12390264 0.88 CSNK2A2 (0.44) PDK2MRGPRX4ALDH1A1L3MBTL1NR1H4
SCHEMBL12389756 0.88 MAPT (0.45) PDK2ALDH1A1L3MBTL1MAPK14MAPT
SCHEMBL12365526 0.85 PDK2 (0.41) PDK2ALDH1A1L3MBTL1MAPK14MAPT
SCHEMBL12389765 0.84 PDK2 (0.48) PDK2MRGPRX4ALDH1A1L3MBTL1NOTUM
SCHEMBL12389769 0.83 CREBBP (0.40) PDK2ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12390204 0.83 BRD4 (0.47) PDK2ALDH1A1MAPK14MAPTRAB9A
SCHEMBL12364995 0.83 PDK2 (0.45) PDK2ALDH1A1L3MBTL1MAPK14MAPT
SCHEMBL12390394 0.82 HTR2B (0.46) —
SCHEMBL12389773 0.82 TDP1 (0.40) PDK2ALDH1A1L3MBTL1MAPK14MAPT
SCHEMBL12365069 0.82 PDK2 (0.43) PDK2ALDH1A1L3MBTL1MAPK14MAPT

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 PDK2 3920/4885MRGPRX4 2358/4885ALDH1A1 934/4885

“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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