SCHEMBL4259598

SCHEMBL4259598

COC(=O)c1ccc(CCc2ccccc2OC)o1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 3/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 2/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
NR3C2 P08235 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
SCHEMBL4252417 0.87 ALDH1A1 (0.59) HPGDSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL10397850 0.78 ALDH1A1 (0.56) HPGDSMN1; SMN2MAPK1LMNATSHR
SCHEMBL4249429 0.77 HTT (0.63) HTTSMN1; SMN2MAPK1LMNARAB9A
SCHEMBL11974036 0.76 HTT (0.71) HTTHPGDSMN1; SMN2MAPK1LMNA
SCHEMBL26227594 0.76 HTT (0.71) HTTHPGDSMN1; SMN2MAPK1LMNA
SCHEMBL765052 0.74 KMT2A (0.48) HTTHPGDSMN1; SMN2LMNATSHR
SCHEMBL26227589 0.74 HTT (0.69) HTTHPGDSMN1; SMN2MAPK1LMNA
SCHEMBL4259800 0.74 HTT (0.55) HTTSMN1; SMN2MAPK1RAB9AMAPT
SCHEMBL12018996 0.73 HTT (1.00) HTTHPGDSMN1; SMN2MAPK1LMNA
SCHEMBL27861559 0.73 KMT2A (0.47) HTTHPGDSMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F HTT 725/4885HPGD 3251/4885SMN1; SMN2 2063/4885

“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.