SCHEMBL4257586

SCHEMBL4257586

COc1cccc(CCc2ccc(C(=O)O)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
NR3C2 P08235 1/20 0.49
KMT2A Q03164 1/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CYP1A2 P05177 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL4259800 0.88 HTT (0.55) SMN1; SMN2NPC1RAB9ANR3C2MTNR1A
SCHEMBL4257456 0.84 KMT2A (0.62) SMN1; SMN2NPC1ALDH1A1POLBRAB9A
SCHEMBL4779408 0.80 FFAR1 (0.48) NPC1POLBRAB9A
SCHEMBL4725186 0.80 NR4A2 (0.60) SMN1; SMN2NPC1ALDH1A1RAB9AKMT2A
SCHEMBL24401235 0.78 TDP1 (0.60) NPC1ALDH1A1POLBRAB9AKMT2A
SCHEMBL17288356 0.78 ALDH1A1 (0.56) AKR1C3NPC1ALDH1A1POLBRAB9A
SCHEMBL3741650 0.77 SLC9A1 (0.67) SMN1; SMN2ALDH1A1
SCHEMBL723511 0.76 TAAR1 (0.77) TAAR1
SCHEMBL30080050 0.76 TAAR1 (0.77) TAAR1
SCHEMBL4675887 0.76 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1POLBMTNR1AMTNR1B

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 AKR1C3 392/4885SMN1; SMN2 2063/4885NPC1 3348/4885

“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.