SCHEMBL5963643

SCHEMBL5963643

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
P2RX7 Q99572 4/20 0.35
PARP1 P09874 1/20 0.34
BRPF1 P55201 1/20 0.34
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PTGS2 P35354 1/20 0.34
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL6966992 0.86 DDB1 (0.33) KMT2AMEN1SMN1; SMN2PARP1ALDH1A1
SCHEMBL3074348 0.82 CYP2D6 (0.38) KMT2AMEN1SMN1; SMN2P2RX7BRPF1
SCHEMBL3074344 0.82 CYP2D6 (0.38) KMT2AMEN1SMN1; SMN2P2RX7BRPF1
SCHEMBL3074342 0.82 CYP2D6 (0.38) KMT2AMEN1SMN1; SMN2P2RX7BRPF1
SCHEMBL4185620 0.80 KMT2A (0.43) KMT2AMEN1BRPF1CREBBPALDH1A1
SCHEMBL4185613 0.80 KMT2A (0.43) KMT2AMEN1BRPF1CREBBPALDH1A1
SCHEMBL4185609 0.80 KMT2A (0.43) KMT2AMEN1BRPF1CREBBPALDH1A1
SCHEMBL4179958 0.78
SCHEMBL3088031 0.78 MEN1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1PTGS2
SCHEMBL3088036 0.78 MEN1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1PTGS2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681568-B1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR UNIV NEW YORK STATE RES FOUND (US) 2006-07-26 EP disclosed
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP disclosed
US-20020045771-A1 Family of canadensol taxanes, the semi-synthetic preparation and therapeutic use thereof INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2002-04-18 US disclosed
EP-0809627-B1 NOVEL BORNEOL DERIVATIVES, METHODS OF MANUFACTURING THEM, AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2001-09-12 EP disclosed
US-6218553-B1 METALLIZATION BY REACTING A BACCATIN III DERIVATIVE WITH A METAL ALKYLDISILAZIDE THE STATE UNIVERSITY OF NEW YORK AT STONY BROOK 2001-04-17 US disclosed
US-6187916-B1 Process for the preparation of taxane derivatives and β-lactam intermediates therefor RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2001-02-13 US disclosed
US-6025507-A Borneol derivatives, methods of manufacturing them, and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
US-5965609-A Borneol esters, process for their production, and their pharmaceutical use SCHERING AG (DE) 1999-10-12 US disclosed
EP-0817769-B1 BORNEOL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 1999-05-26 EP disclosed
EP-0758316-B1 BORNEOL DERIVATIVES AFFECTING TUBULIN POLYMERIZATION AND DEPOLYMERIZATION SCHERING AG (DE) 1998-11-18 EP disclosed
WO-1996032376-A1 NOVEL BORNEOL ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1996-10-17 WO disclosed
WO-1996025392-A1 NOVEL BORNEOL DERIVATIVES, METHODS OF MANUFACTURING THEM, AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
EP-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP disclosed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP disclosed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US disclosed
WO-1995030650-A1 BORNEOL DERIVATIVES AFFECTING TUBULIN POLYMERIZATION AND DEPOLYMERIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-16 WO disclosed
EP-0681568-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND $g(b)-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-11-15 EP disclosed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 WO disclosed
WO-1994018164-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND β-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-08-18 WO disclosed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 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-20020045771-A1 Family of canadensol taxanes, the semi-synthetic preparation and therapeutic use thereof MT-ATP8, MT-ATP6, CANX KMT2A 4020/4885MEN1 3318/4885SMN1; SMN2 2104/4885

“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.