SCHEMBL3034249

SCHEMBL3034249

CCCOc1cccc(C(C)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
ROCK1 Q13464 2/20 0.49
ROCK2 O75116 1/20 0.49
DYRK3 O43781 1/20 0.49
PRKACA P17612 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
AKT2 P31751 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49
PRKX P51817 1/20 0.49
CDK5 Q00535 1/20 0.49
PRKCD Q05655 1/20 0.49
PRKG2 Q13237 1/20 0.49
PRKG1 Q13976 1/20 0.49
PKN2 Q16513 1/20 0.49
MINK1 Q8N4C8 1/20 0.49

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
SCHEMBL14066695 0.92 CACNA1B (0.53) KDM4ETSHRALOX5ACACBACACA
SCHEMBL16216312 0.88 KMT2A (0.51) KMT2AKDM4ETSHRROCK1ROCK2
SCHEMBL12030468 0.88 KMT2A (0.54) KMT2AKDM4ETSHRROCK1ROCK2
SCHEMBL6055352 0.86 TP53 (0.52) KMT2AKDM4ETSHRACACBACACA
SCHEMBL5018851 0.86 KDM4E (0.69) KMT2AKDM4ETSHRROCK1ROCK2
SCHEMBL19361241 0.84 ADRB1 (0.53) KMT2AKDM4ETSHRROCK1ROCK2
SCHEMBL4785332 0.83 KDM4E (0.50) KMT2AKDM4ETSHRALOX5ALDH1A1
SCHEMBL9166568 0.83 TSHR (0.53) KMT2AKDM4ETSHRROCK1ROCK2
SCHEMBL11954263 0.83 KDM4E (0.53) KMT2AKDM4ETSHRROCK1ROCK2
SCHEMBL16958025 0.83 KDM4E (0.53) KMT2AKDM4ETSHRROCK1ROCK2

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-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (5 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 KMT2A 984/4885KDM4E 1219/4885TSHR 1585/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 KMT2A 688/4885KDM4E 892/4885TSHR 643/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 KMT2A 828/4885KDM4E 773/4885TSHR 939/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885KDM4E 2010/4885TSHR 2239/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885KDM4E 988/4885TSHR 743/4885

“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.