SCHEMBL5383789

SCHEMBL5383789

CCOc1cc(Br)cc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.50
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
AOC3 Q16853 1/20 0.46
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
IGF1R P08069 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5381403 0.87 CYP3A4 (0.48) DHFRCYP3A4ALDH1A1AOC3CYP2D6
SCHEMBL5393397 0.85 CYP3A4 (0.47) DHFRCYP3A4ALDH1A1AOC3CYP2D6
SCHEMBL14337789 0.81 DHFR (0.49) DHFRCYP3A4ALDH1A1AOC3CYP2D6
SCHEMBL14337783 0.81 DHFR (0.49) DHFRCYP3A4ALDH1A1AOC3CYP2D6
SCHEMBL5387246 0.80 CYP3A4 (0.58) CYP3A4ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5628167 0.78 AOC3 (0.48) DHFRCYP3A4ALDH1A1AOC3CYP2D6
SCHEMBL1619701 0.78 SMPD1 (0.49) DHFRCYP3A4ALDH1A1AOC3CYP2D6
SCHEMBL6542530 0.77 CYP3A4 (0.39) CYP3A4ALDH1A1AOC3CYP2D6SMN1; SMN2
SCHEMBL27195658 0.76 CYP3A4 (0.58) DHFRCYP3A4ALDH1A1AOC3CYP2D6
SCHEMBL31202645 0.76 CYP3A4 (0.58) DHFRCYP3A4ALDH1A1AOC3CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-7312347-B2 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-25 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US disclosed
US-20070073065-A1 Substituted optically active disphosphine compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-29 US 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-20070073065-A1 Substituted optically active disphosphine compound DHPS, DOHH, DHODH DHFR 703/4885CYP3A4 374/4885ALDH1A1 277/4885

“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.