SCHEMBL4112920

SCHEMBL4112920

COc1cccc(C(O)c2cc(C(F)(F)F)ccc2NC(=O)C(C)(C)C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
RXFP1 Q9HBX9 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 5/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8567301 0.85 LPAR1 (0.47) ALDH1A1L3MBTL1PDK1PDK2PDK3
SCHEMBL8560596 0.85 LPAR1 (0.47) ALDH1A1L3MBTL1PDK1PDK2PDK3
SCHEMBL8566775 0.85 LPAR1 (0.47) ALDH1A1L3MBTL1PDK1PDK2PDK3
SCHEMBL9058240 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1RXFP1HTTKDM4E
SCHEMBL4130084 0.79 RXFP1 (0.41) L3MBTL1RXFP1CYP1A2CYP2C19CYP3A4
SCHEMBL4118434 0.79 RXFP1 (0.48) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL8557914 0.79 KMT2A (0.45) ALDH1A1L3MBTL1LMNAKDM4EMAPT
SCHEMBL8557908 0.79 KMT2A (0.45) ALDH1A1L3MBTL1LMNAKDM4EMAPT
SCHEMBL4130147 0.78 RXFP1 (0.43) ALDH1A1RXFP1CYP1A2CYP2C19CYP3A4
SCHEMBL13775821 0.78 MAPT (0.44) ALDH1A1L3MBTL1LMNAHTTSMN1; SMN2

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR ALDH1A1 1587/4885L3MBTL1 661/4885PDK1 982/4885

“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.