SCHEMBL629665

SCHEMBL629665

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
OPRL1 P41146 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FUCA1 P04066 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
CHRNA7 P36544 1/20 0.30
ACHE P22303 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
SCHEMBL630148 0.79 TDP1 (0.33) LMNACYP3A4MAPTALDH1A1TSHR
SCHEMBL5627918 0.76
SCHEMBL9439377 0.72 MAOA (0.48) LMNAALDH1A1OPRL1TSHRMAOA
SCHEMBL18102902 0.70 LMNA (0.38) LMNAMAPTALDH1A1OPRL1FUCA1
SCHEMBL20234219 0.70 LMNA (0.38) LMNAMAPTALDH1A1OPRL1FUCA1
SCHEMBL20226481 0.70 LMNA (0.38) LMNAMAPTALDH1A1OPRL1FUCA1
SCHEMBL9439491 0.70 ALDH1A1 (0.39) LMNAALDH1A1OPRL1TSHRFUCA1
SCHEMBL9642113 0.69 LMNA (0.35) LMNACYP3A4ALDH1A1OPRL1
SCHEMBL629678 0.67 CYP3A4 (0.40) LMNACYP3A4KMT2AMEN1MAPT
SCHEMBL27989707 0.65 MAOA (0.40) LMNACYP3A4MAOAMAOB

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 LMNA 289/4885CYP3A4 202/4885KMT2A 1474/4885
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 LMNA 357/4885CYP3A4 1124/4885KMT2A 1741/4885
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics HCCS, GALE, BCL3 LMNA 1087/4885CYP3A4 126/4885KMT2A 2348/4885

“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.