SCHEMBL4127954

SCHEMBL4127954

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LPAR1 Q92633 2/20 0.39
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CTSA P10619 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CSNK1D P48730 2/20 0.37
IGF2BP2 Q9Y6M1 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
SCHEMBL13775826 0.88 NPC1 (0.39) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL4124759 0.80 ALDH1A1 (0.42) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL13775827 0.79 TAS1R3 (0.42) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL4123578 0.78 LMNA (0.43) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL4124875 0.77 LPAR1 (0.45) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL4111602 0.77 LMNA (0.44) NPC1RAB9AGAAKMT2ANPSR1
SCHEMBL4124488 0.76 ALDH1A1 (0.57) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL4123660 0.75 TAS1R3 (0.38) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL4112920 0.75 ALDH1A1 (0.45) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL4130084 0.74 RXFP1 (0.41) MAPTHTTLPAR1POLBCTSA

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 NPC1 187/4885RAB9A 4041/4885GAA 922/4885

“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.