SCHEMBL6311316

SCHEMBL6311316

CC1(C)Cc2cccc(OCC3CO3)c2O1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 3/20 0.53
GLA P06280 1/20 0.51
POLB P06746 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PTBP1 P26599 1/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL6311312 1.00 ALDH1A1 (0.55) ALDH1A1NPC1GLAPOLBLMNA
SCHEMBL5783680 0.81 ALDH1A1 (0.57) ALDH1A1NPC1POLBLMNAMAPT
SCHEMBL19847946 0.80 ALDH1A1 (0.52) ALDH1A1NPC1POLBLMNAMAPT
SCHEMBL10529630 0.80 ALDH1A1 (0.57) ALDH1A1NPC1POLBLMNAMAPT
SCHEMBL6730228 0.79 NPC1 (0.54) ALDH1A1NPC1POLBLMNAMAPT
SCHEMBL4750821 0.78 ALDH1A1 (0.39) ALDH1A1NPC1GLAPOLBLMNA
SCHEMBL4753146 0.78 HTR2A (0.47) ALDH1A1NPC1GLAKMT2ASMN1; SMN2
SCHEMBL17525886 0.78 NPC1 (0.56) ALDH1A1NPC1POLBLMNAMAPT
SCHEMBL7819650 0.77 NPC1 (0.55) ALDH1A1NPC1POLBLMNAMAPT
SCHEMBL7963661 0.77 NPC1 (0.55) ALDH1A1NPC1POLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
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
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
EP-1246822-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 EP disclosed
WO-2001046177-A1 BENZOFURAN DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-28 WO 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 (2 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 81/4885NPC1 2097/4885GLA 2247/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F ALDH1A1 90/4885NPC1 3324/4885GLA 1198/4885

“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.