SCHEMBL2429759

SCHEMBL2429759

CCCOc1cccc2c(=O)c(-c3cccc(-c4ccc(OC)cc4OC)c3)c[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50
CYP2F1 P24903 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4F8 P98187 1/20 0.50
CYP4A11 Q02928 1/20 0.50

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
SCHEMBL2428415 0.93 ADORA3 (0.44) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL2434710 0.86 KDM4E (0.44) DYRK1AALDH1A1KDM4EHPGDCNR1
SCHEMBL2432181 0.86 HPGD (0.43) CYP1A1CYP1A2CYP1B1DYRK1AALDH1A1
SCHEMBL2433221 0.85 CNR1 (0.41) CYP1A2CYP2C9CYP2C19DYRK1AALDH1A1
SCHEMBL2429943 0.84 DYRK1A (0.45) DYRK1AKITALDH1A1KDM4EHPGD
SCHEMBL2433772 0.82 BRD4 (0.47) DYRK1AKITALDH1A1KDM4EHPGD
SCHEMBL2435528 0.81 CNR1 (0.39) CYP2A6DYRK1AKITALDH1A1KDM4E
SCHEMBL2430177 0.81 CNR1 (0.40) CYP1A1CYP1A2CYP2A6CYP1B1DYRK1A
SCHEMBL2429913 0.81 NR3C1 (0.48) CYP3A4CYP1A2CYP2D6CYP2A6CYP2C9
SCHEMBL2428424 0.79 ALDH1A1 (0.46) CYP3A4CYP1A2CYP2D6CYP2A6CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064701-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND 大塚製薬株式会社 (JP) 2010-06-10 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 (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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CYP3A4 2014/4885CYP1A1 988/4885CYP1A2 1581/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 CYP3A4 2014/4885CYP1A1 988/4885CYP1A2 1581/4885

“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.