SCHEMBL6729462

SCHEMBL6729462

C=CCOc1cccc2c1OC(C)(C)C2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 2/20 0.52
NPC1 O15118 3/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 2/20 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
SCHEMBL5606254 0.85 NPC1 (0.52) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL5783680 0.83 ALDH1A1 (0.57) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL7819650 0.82 NPC1 (0.55) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL17525886 0.81 NPC1 (0.56) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL6734167 0.80 POLB (0.62) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL7963661 0.79 NPC1 (0.55) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL14359479 0.79 NPC1 (0.55) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL31276466 0.79 NPC1 (0.58) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL4189649 0.79 NPC1 (0.55) ALDH1A1LMNANPC1POLBMAPT
SCHEMBL10529630 0.79 ALDH1A1 (0.57) ALDH1A1LMNANPC1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient EGIS GYOGYSZERGYAR (HU) 2004-09-23 US disclosed
EP-1077973-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS GYOGYSZERGYAR RT. (HU) 2001-02-28 EP disclosed
WO-1999058527-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 1999-11-18 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-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient CYP2F1, CYP3A4, CYP2S1 ALDH1A1 81/4885LMNA 2499/4885NPC1 2097/4885

“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.