SCHEMBL4306596

SCHEMBL4306596

COc1[c]c2c(OC)cccc2c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA4 P22748 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 4/20 0.35
HPGD P15428 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL808524 0.76 SYK (0.42) MAPTCA12CA1CA2CA7
SCHEMBL5780277 0.72 MCHR1 (0.41) NQO2MAPTCA12CA1CA2
SCHEMBL852743 0.69 EP300 (0.41) NQO2CYP19A1MAPTCA12CA1
SCHEMBL357145 0.67 CA1 (0.61) MAPTCA12CA1CA2CA7
SCHEMBL31116611 0.67 CA1 (0.61) MAPTCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL31658961 0.65 SMN1; SMN2 (0.58) MAPTCA12CA1CA2CA7
SCHEMBL7300458 0.64 MAOA (0.45) NQO2CYP19A1MAPTCA12CA1
SCHEMBL20563021 0.64 CYP2A6 (0.40) MAPTCA12CA1CA2CA7
SCHEMBL28926451 0.64 PTPRC (0.49) MAPTCA12CA1CA2CA7
SCHEMBL12473426 0.64 CA1 (0.55) MAPTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 US disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 US disclosed
CN-1181087-C Novel antibacterial compounds ������������ʽ���� 2004-12-22 CN disclosed
CN-1176936-C Carbamycin derivatives and pharmaceutical compositions containing the same ������������ʽ���� 2004-11-24 CN disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
CN-1091432-A Can suppress the active peptide of hiv protease, its preparation with and medical use SANKYO CO (JP) 1994-08-31 CN disclosed
CN-1091128-A Piperidine derivative SANKYO CO (JP) 1994-08-24 CN disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
EP-0283310-B1 N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-05-26 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 EP 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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG NQO2 2484/4885CYP19A1 3597/4885MAPT 1627/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 NQO2 145/4885CYP19A1 2609/4885MAPT 3838/4885

“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.