SCHEMBL4119367

SCHEMBL4119367

COc1c(C)cccc1C(O)c1cc(Cl)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
ALDH1A1 P00352 5/20 0.34
TSHR P16473 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CRHR1 P34998 1/20 0.34
FDFT1 P37268 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABL1 P00519 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 1/20 0.33
LPAR1 Q92633 2/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4119402 0.88 RECQL (0.36) CYP3A4ALDH1A1TSHRKDM4EHPGD
SCHEMBL4679921 0.86 ALDH1A1 (0.43) ALDH1A1TSHRFDFT1MEN1KMT2A
SCHEMBL4111096 0.86 ALDH1A1 (0.43) ALDH1A1TSHRFDFT1MEN1KMT2A
SCHEMBL4129463 0.85 GAA (0.34) CYP3A4ALDH1A1TSHRKDM4EHPGD
SCHEMBL4123719 0.83 MRGPRX4 (0.37) ALDH1A1FDFT1ABL1LPAR1
SCHEMBL4118673 0.83 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRHPGDNPSR1
SCHEMBL4122299 0.82 TMPRSS4 (0.37) FDFT1GAA
SCHEMBL4125270 0.81 LPAR1 (0.38) ALDH1A1CRHR1L3MBTL1TDP1ABL1
SCHEMBL4119685 0.80 FDFT1 (0.37) ALDH1A1FDFT1ABL1MEN1KMT2A
SCHEMBL4122138 0.80 TDP1 (0.42) CYP3A4ALDH1A1KDM4EFDFT1TDP1

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 CYP3A4 1692/4885ALDH1A1 1587/4885TSHR 1672/4885

“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.