SCHEMBL6730228

SCHEMBL6730228

CC1(C)Cc2cccc(OCCCBr)c2O1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 2/20 0.49
PTBP1 P26599 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 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
SCHEMBL14359479 0.93 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL7963661 0.87 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL7128044 0.86 NPC1 (0.54) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL17525886 0.85 NPC1 (0.56) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL3183533 0.84 NPC1 (0.56) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL4189649 0.84 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL10529630 0.84 ALDH1A1 (0.57) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL7819650 0.84 NPC1 (0.55) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL31276466 0.84 NPC1 (0.58) NPC1ALDH1A1LMNAPOLBMAPT
SCHEMBL5606254 0.83 NPC1 (0.52) NPC1ALDH1A1LMNAPOLBMAPT

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 NPC1 2097/4885ALDH1A1 81/4885LMNA 2499/4885

“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.