SCHEMBL4304565

SCHEMBL4304565

Cc1ccc2[c]c(C)c(C)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.44
CYP2A6 P11509 7/20 0.44
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.33
NCK1 P16333 1/20 0.31
BACE1 P56817 1/20 0.31
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31
NQO2 P16083 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
SCHEMBL64492 0.76 BRD4 (0.39) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL819377 0.74 CYP2A6 (0.50) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL819816 0.72 CYP2A6 (0.52) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL5671112 0.72 CYP2A6 (0.38) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL667256 0.71 CYP1A2 (0.52) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL819774 0.71 CYP1A2 (0.48) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL666751 0.68 CYP2A6 (0.48) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL18207370 0.68 CYP1A2 (0.48) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL606287 0.66 CYP1A2 (0.77) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL11026596 0.66 CYP2A6 (0.43) CYP1A2CYP2A6TDP1ALDH1A1KDM4E

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 25 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
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
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US 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
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US 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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG CYP1A2 2757/4885CYP2A6 1769/4885TDP1 4024/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 CYP1A2 730/4885CYP2A6 1160/4885TDP1 4351/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 CYP1A2 438/4885CYP2A6 375/4885TDP1 3707/4885

“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.