SCHEMBL5488904

SCHEMBL5488904

CCC(C(C)=O)c1cc(OC)c(O)cc1C(=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 3/20 0.47
RECQL P46063 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL3247280 0.88 CYP3A4 (0.49) MAPTKDM4ELMNAHPGDCYP3A4
SCHEMBL3854017 0.84 TUBB4A (0.48) MAPTKDM4ELMNAHPGDCYP3A4
SCHEMBL4282581 0.80 TSHR (0.54) MAPTKDM4ELMNACYP3A4HTT
SCHEMBL14582854 0.80 TUBB4A (0.43) MAPTKDM4ELMNAHPGDCYP3A4
Ethylene SCHEMBL6410194 0.78 TSHR (0.51) MAPTKDM4ELMNACYP3A4ALDH1A1
SCHEMBL14448350 0.76 MAPK1 (0.53) NPC1MAPTLMNAHPGDCYP3A4
SCHEMBL7426404 0.75 MAPK1 (0.46) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL8323174 0.75 SMPD1 (0.48) MAPTLMNACYP3A4ALDH1A1GAA
SCHEMBL8337903 0.75 SMPD1 (0.48) MAPTLMNACYP3A4ALDH1A1GAA
SCHEMBL14448347 0.75 TSHR (0.50) MAPTCYP3A4ALDH1A1GAATUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 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-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines GABBR2, GABBR1, GABRB3 NPC1 1469/4885MAPT 3734/4885KDM4E 4050/4885

“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.