SCHEMBL4308923

SCHEMBL4308923

COc1ccc2[c]c(OC)c(OC)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 9/20 0.43
CYP1A1 P04798 7/20 0.43
CYP1B1 Q16678 7/20 0.43
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
NFE2L2 Q16236 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
RAD52 P43351 1/20 0.37

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
SCHEMBL9776339 0.79 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL64953 0.78 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2251771 0.73 CYP1A2 (0.59) CYP1A2CYP1A1CYP1B1CYP2A6ALDH1A1
SCHEMBL8558574 0.72 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL11723042 0.72 CYP2A6 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5144913 0.70 CYP2A6 (0.50) CYP1A2CYP2A6CYP3A4MEN1KMT2A
SCHEMBL11049075 0.70 CYP1A2 (0.46) CYP1A2CYP1A1CYP1B1CYP2A6MEN1
SCHEMBL21830263 0.69 CYP1A2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9510748 0.69 CYP2A6 (0.48) CYP1A2CYP2A6CYP3A4MEN1KMT2A
SCHEMBL8933817 0.69 CYP2A6 (0.44) CYP1A2CYP2A6ALDH1A1MEN1KMT2A

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 30 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
CN-1525968-A composition for preventing or treating liver disease 三共株式会社 2004-09-01 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-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 CA12 4002/4885CA1 4733/4885CA2 4691/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 CA12 3974/4885CA1 2594/4885CA2 1863/4885

“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.