SCHEMBL18012111

SCHEMBL18012111

COc1ccc(C(=O)c2cc3cc(C)ccc3o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.59
FLT3 P36888 1/20 0.56
HTT P42858 1/20 0.55
CLK1 P49759 1/20 0.55
DYRK1A Q13627 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
MAOB P27338 3/20 0.54
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL1378971 0.92 ALDH1A1 (0.63) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26083898 0.86 FLT3 (0.65) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7386952 0.85 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8761540 0.83 MAPT (0.72) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18012110 0.83 NPC1 (0.67) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13221155 0.83 HDAC3 (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL657637 0.82 NPC1 (0.70) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30629239 0.82 NPC1 (0.70) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11112195 0.82 FLT3 (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3377510 0.82 RAB9A (0.63) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 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-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS LITAF, IL1B, CYP2F1 MAPT 4537/4885SMN1; SMN2 3909/4885NPC1 4439/4885

“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.