SCHEMBL630148

SCHEMBL630148

OC[C@H]1OC=C[C@@H](O)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
LMNA P02545 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
SCHEMBL629665 0.79 LMNA (0.36) TDP1ALDH1A1TSHRCYP3A4MAPT
SCHEMBL9439377 0.71 MAOA (0.48) TDP1ALDH1A1TSHRMAOAMAOB
SCHEMBL6038127 0.71 TDP1 (0.32) TDP1TSHR
SCHEMBL16147983 0.70 ALDH1A1 (0.33) ALDH1A1MAOAMAOBLMNA
SCHEMBL9439491 0.69 ALDH1A1 (0.39) ALDH1A1TSHRMAOAMAOBLMNA
SCHEMBL10600564 0.67 SLC5A2 (0.38) TSHRCYP3A4CYP2D6MAPTCYP2C19
SCHEMBL22034482 0.67 SLC5A2 (0.38) TSHRCYP3A4CYP2D6MAPTCYP2C19
SCHEMBL8883781 0.67 HSD11B1 (0.35) TDP1ALDH1A1TSHRCYP3A4CYP2D6
SCHEMBL22034479 0.67 SLC5A2 (0.38) TSHRCYP3A4CYP2D6MAPTCYP2C19
SCHEMBL7784607 0.66 SLC6A2 (0.38) TSHRMAPTCYP2C19

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
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-7109177-B2 Methods and compositions for the manufacture of C-3′ and C-4′ anthracycline antibiotics HOUSTON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20050004048-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 2005-01-06 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 (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-20050004048-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics HCCS, ABCC3, MYC TDP1 2350/4885ALDH1A1 2070/4885TSHR 3838/4885
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 TDP1 99/4885ALDH1A1 1945/4885TSHR 3741/4885
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics HCCS, GALE, BCL3 TDP1 3209/4885ALDH1A1 2453/4885TSHR 3680/4885

“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.