SCHEMBL4122614

SCHEMBL4122614

COc1c(OC(F)(F)F)cccc1C(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 5/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
HSD11B1 P28845 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 1/20 0.47
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4117824 0.90 TSHR (0.56) TSHRNPSR1ALDH1A1POLBHTT
Water SCHEMBL4116761 0.89 TSHR (0.55) TSHRNPSR1ALDH1A1POLBHTT
SCHEMBL13883807 0.87 ALDH1A1 (0.66) TSHRNPSR1ALDH1A1POLBHTT
SCHEMBL4123885 0.82 ALDH1A1 (0.49) TSHRNPSR1ALDH1A1POLBHTT
SCHEMBL4115804 0.80 PKM (0.60) TSHRNPSR1ALDH1A1POLBHTT
SCHEMBL4125131 0.80 NPSR1 (0.56) TSHRNPSR1ALDH1A1POLBHTT
SCHEMBL12187440 0.79 ALDH1A1 (0.50) TSHRNPSR1ALDH1A1POLBHTT
SCHEMBL12766946 0.77 HTT (0.72) TSHRNPSR1ALDH1A1POLBHTT
SCHEMBL4117812 0.77 TSHR (0.62) TSHRNPSR1ALDH1A1HTTGAA
SCHEMBL4126979 0.76 KCNK3 (0.50) TSHRALDH1A1HTTKMT2AL3MBTL1

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 TSHR 1672/4885NPSR1 972/4885ALDH1A1 1587/4885

“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.