SCHEMBL4123885

SCHEMBL4123885

COc1c(C(=O)N2CCOCC2)cccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LRRK2 Q5S007 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AKR1C3 P42330 1/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL12187440 0.88 ALDH1A1 (0.50) ALDH1A1TSHRLMNAL3MBTL1NPSR1
SCHEMBL14146108 0.82 HSD11B1 (0.49) ALDH1A1LMNAL3MBTL1HTTGAA
SCHEMBL4122614 0.82 TSHR (0.53) ALDH1A1TSHRLMNAL3MBTL1NPSR1
SCHEMBL4115804 0.82 PKM (0.60) ALDH1A1TSHRL3MBTL1NPSR1HTT
SCHEMBL13883807 0.81 ALDH1A1 (0.66) ALDH1A1TSHRLMNANPSR1HTT
SCHEMBL4117824 0.80 TSHR (0.56) ALDH1A1TSHRLMNAL3MBTL1NPSR1
Water SCHEMBL4116761 0.79 TSHR (0.55) ALDH1A1TSHRLMNAL3MBTL1NPSR1
SCHEMBL4125131 0.79 NPSR1 (0.56) ALDH1A1TSHRLMNAL3MBTL1NPSR1
SCHEMBL4462435 0.76 KMT2A (0.61) ALDH1A1TSHRLMNAL3MBTL1GAA
SCHEMBL4123848 0.74 CTSS (0.54) ALDH1A1LMNAHTTGAA

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 4 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
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
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 1587/4885TSHR 1672/4885LMNA 1109/4885

“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.