SCHEMBL4797973

SCHEMBL4797973

CC(C)(C)[Si](O[C@H]1CC[C@@H](O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMYD2 Q9NRG4 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL241741 1.00 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL359522 1.00 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL14461324 0.92 BACE1 (0.43) BACE1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL26964687 0.91 BACE1 (0.36) BACE1
SCHEMBL26964605 0.91 BACE1 (0.36) BACE1
SCHEMBL7344545 0.91 BACE1 (0.36) BACE1
SCHEMBL7344125 0.91 BACE1 (0.36) BACE1
SCHEMBL7339050 0.91 BACE1 (0.36) BACE1
SCHEMBL19984341 0.85 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL22283784 0.85 BACE1 (0.36) BACE1CYP3A4HTTSMN1; SMN2SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
US-7417032-B2 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-26 US disclosed
US-7417032-B2 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-26 US disclosed
US-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US disclosed
US-6013807-A Antitumor tetracyclic compounds UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-01-11 US disclosed
US-5852204-A Pyrrolo 3,2-b-!-carbazoles and 1H 1!benzothieno 2,3-f! indoles having anti-tumor activity UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-12-22 US disclosed
EP-0741729-A1 ANTITUMOUR TETRACYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-11-13 EP disclosed
WO-1995021170-A1 ANTITUMOUR TETRACYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-10 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 (3 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-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 BACE1 1999/4885CYP3A4 469/4885HTT 3226/4885
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 BACE1 1968/4885CYP3A4 404/4885HTT 3166/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 BACE1 1993/4885CYP3A4 548/4885HTT 4159/4885

“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.