SCHEMBL70468

SCHEMBL70468

Cc1c(Cl)cc(C(C)(C)C)c(O)c1Cc1c(C)c(Cl)cc(C(C)(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 7/20 1.00
CYP2C9 P11712 5/20 1.00
HIF1A Q16665 5/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
TP53 P04637 2/20 1.00
HSPA5 P11021 3/20 0.46
CA2 P00918 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
TYR P14679 1/20 0.45
CA1 P00915 2/20 0.42
CYP1A2 P05177 4/20 0.41
ALOX5 P09917 1/20 0.41
CYP2D6 P10635 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
LMNA P02545 5/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 4/20 0.38
HTR1A P08908 3/20 0.38

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
SCHEMBL833037 0.82 CYP2C19 (0.70) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL9768525 0.81 CYP2C19 (0.68) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL10488673 0.79 SMN1; SMN2 (0.65) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL70212 0.78 HIF1A (0.63) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL11883439 0.78 SMN1; SMN2 (0.62) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL27962109 0.77 SMN1; SMN2 (0.62) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL30337501 0.76 CYP2C19 (0.62) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL3039574 0.75 SMN1; SMN2 (0.59) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL30337249 0.73 CYP2C19 (0.58) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53
SCHEMBL10814873 0.73 CYP2C19 (0.61) CYP2C19CYP2C9HIF1ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 US disclosed
US-8779202-B2 Compositions and methods for the treatment of giardiasis GEORGETOWN UNIVERSITY (US) 2014-07-15 US disclosed
US-8779202-B2 Compositions and methods for the treatment of giardiasis GEORGETOWN UNIVERSITY (US) 2014-07-15 US disclosed
US-20120283267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GIARDIASIS GEORGETOWN UNIVERSITY (US) 2012-11-08 US disclosed
US-20120283267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GIARDIASIS GEORGETOWN UNIVERSITY (US) 2012-11-08 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
WO-2011068987-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GIARDIASIS GEORGETOWN UNIVERSITY (US) 2011-06-09 WO disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
WO-2011014825-A2 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-02-03 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 (4 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CYP2C19 3009/4885CYP2C9 2591/4885HIF1A 1324/4885
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR CYP2C19 4841/4885CYP2C9 4864/4885HIF1A 85/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR CYP2C19 4841/4885CYP2C9 4864/4885HIF1A 85/4885
US-20120283267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GIARDIASIS FABP2, SI, GGH CYP2C19 1596/4885CYP2C9 2195/4885HIF1A 3946/4885

“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.