SCHEMBL5722802

SCHEMBL5722802

COc1ccc(Br)cc1OCC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL19632865 0.84 L3MBTL1 (0.57) PTGDR2SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL6221568 0.84 PTGDR2 (0.57) PTGDR2SMN1; SMN2TDP1L3MBTL1HPGD
SCHEMBL16294073 0.83 PTGDR2 (0.65) PTGDR2SMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL9787268 0.83 POLB (0.71) SMN1; SMN2POLBTDP1L3MBTL1NPC1
SCHEMBL29620410 0.83 POLB (0.71) SMN1; SMN2POLBTDP1L3MBTL1NPC1
SCHEMBL11769047 0.82 PTGDR2 (0.68) PTGDR2POLBTDP1L3MBTL1HPGD
SCHEMBL6583892 0.82 NPC1 (0.53) SMN1; SMN2POLBTDP1L3MBTL1HPGD
SCHEMBL7116077 0.81 CYP1A2 (0.52) SMN1; SMN2POLBTDP1L3MBTL1HPGD
SCHEMBL6751643 0.79 NPC1 (0.60) SMN1; SMN2POLBNPC1RAB9ALMNA
SCHEMBL6864775 0.78 KMT2A (0.57) SMN1; SMN2TDP1L3MBTL1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 PTGDR2 3567/4885SMN1; SMN2 1477/4885POLB 1985/4885

“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.