SCHEMBL6540995

SCHEMBL6540995

CCCOc1cccc(OC)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ERN1 O75460 3/20 0.45
FDPS P14324 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.40
MCHR1 Q99705 1/20 0.40
SRC P12931 1/20 0.40
PDE4D Q08499 1/20 0.39

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
SCHEMBL10351595 0.93 L3MBTL1 (0.53) GAATDP1L3MBTL1ERN1SMN1; SMN2
SCHEMBL747870 0.86 TLR2 (0.44) GAATDP1L3MBTL1ERN1SMN1; SMN2
SCHEMBL10612658 0.85 ALDH1A1 (0.45) GAATDP1L3MBTL1ERN1FDPS
SCHEMBL10351592 0.84 GAA (0.64) GAATDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL170690 0.83 ERN1 (0.55) GAATDP1ERN1ALDH1A1HPGD
SCHEMBL13476244 0.83 TDP1 (0.48) GAATDP1L3MBTL1ERN1SMN1; SMN2
SCHEMBL14848863 0.82 GAA (0.58) GAATDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL18297562 0.81 L3MBTL1 (0.47) GAATDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL21625777 0.81 GAA (0.56) GAATDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3205905 0.81 BACE1 (0.45) ERN1FDPSSMN1; SMN2ALDH1A1TLR2

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 GAA 1394/4885TDP1 3965/4885L3MBTL1 1817/4885

“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.