SCHEMBL630059

SCHEMBL630059

C[C@@H]1OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
MAPT P10636 1/20 0.31
CYP2C19 P33261 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
SCHEMBL13869159 0.84 PDPK1 (0.40) PDPK1MTORMAPTCYP2C19
SCHEMBL13869157 0.84 PDPK1 (0.40) PDPK1MTORMAPTCYP2C19
SCHEMBL28345301 0.84 PDPK1 (0.40) PDPK1MTORMAPTCYP2C19
SCHEMBL1578694 0.83 HTR1A (0.39)
SCHEMBL8059952 0.78 FUCA1 (0.31)
SCHEMBL11380824 0.76 CYP2C19 (0.41) PDPK1MTORMAPTCYP2C19
SCHEMBL630321 0.76 ALDH1A1 (0.42) PDPK1MTORMAPTCYP2C19
SCHEMBL17898988 0.76 TSHR (0.42) PDPK1MTORMAPTCYP2C19
SCHEMBL17265338 0.76 CYP2C19 (0.40) PDPK1MTORMAPTCYP2C19
SCHEMBL1579200 0.76 TOP2A (0.35) PDPK1MTORCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165578-B1 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2012-02-22 EP disclosed
US-7557090-B2 Anthracycline antibiotics and methods of treating cancer using the same HOUSTON PHARMACEUTICALS, INC. (US) 2009-07-07 US disclosed
US-20070037758-A1 administering with a DNA damaging agent; modified alkyl-aromatic ring substitutions on the C-3' of the sugar moiety or alkyl-aromatic ring substitutions at the C-4' of the sugar; cytotoxicity; antitumor, anticarcinogenic agents; multidrug resistance; compounds act by intercalating with DNA HOUSTON PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-6673907-B2 NOVEL SUBSTITUTED TETRACYCLINES WITH MODIFIED ALKYL-AROMATIC RING SUBSTITUTIONS ON THE C-3' AND/OR C-4' OF THE SUGAR MOIETY; CYTOTOXICITY; ANTITUMOR, -CARCINOGENIC AGENTS; MULTIDRUG RESISTANCE HOUSTON PHARMACEUTICALS, INC. 2004-01-06 US disclosed
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-26 US disclosed
EP-1165578-A4 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2002-08-28 EP disclosed
EP-1165578-A2 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS Priebe, Waldemar (US) 2002-01-02 EP disclosed
WO-2000056267-A2 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2000-09-28 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-20070037758-A1 administering with a DNA damaging agent; modified alkyl-aromatic ring substitutions on the C-3' of the sugar moiety or alkyl-aromatic ring substitutions at the C-4' of the sugar; cytotoxicity; antitumor, anticarcinogenic agents; multidrug resistance; compounds act by intercalating with DNA PCNA, DDB1, TOP1 THRB 4340/4885PDPK1 2176/4885MTOR 2253/4885
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics HCCS, GALE, BCL3 THRB 4285/4885PDPK1 3040/4885MTOR 694/4885

“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.