Sugi Predict

Sugi Predict / Compounds / SCHEMBL597012

SCHEMBL597012

SCHEMBL597012

COc1cc(C=CC#N)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 8/20 0.64
▸ CYP1B1 Q16678 8/20 0.64
▸ NQO2 P16083 5/20 0.53
▸ CYP1A2 P05177 5/20 0.53
▸ ABL1 P00519 3/20 0.53
▸ BCR P11274 3/20 0.53
▸ TTR P02766 3/20 0.53
▸ ALOX5 P09917 3/20 0.53
▸ ESR1 P03372 2/20 0.53
▸ ABCB1 P08183 2/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ PTGS2 P35354 2/20 0.53
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ AHR P35869 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53

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
SCHEMBL597011 1.00 CYP1A1 (0.64) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL8928082 0.81 RELA (0.61) CYP1A1CYP1B1NQO2CYP1A2CYP19A1
SCHEMBL8928081 0.81 RELA (0.61) CYP1A1CYP1B1NQO2CYP1A2CYP19A1
SCHEMBL14954701 0.80 ROCK2 (0.58) CYP1A1CYP1B1CYP1A2KDM4EFDPS
SCHEMBL12284686 0.80 ROCK2 (0.58) CYP1A1CYP1B1CYP1A2KDM4EFDPS
SCHEMBL1743363 0.79 CYP1A1 (1.00) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL1743365 0.79 CYP1A1 (1.00) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL442275 0.79 KDM4E (0.57) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL2121368 0.79 CYP1A1 (0.64) CYP1A1CYP1B1NQO2CYP1A2ABL1
SCHEMBL442274 0.79 KDM4E (0.57) CYP1A1CYP1B1NQO2CYP1A2ABL1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100029-B2 Combretastatin analogs BIOVENTURES, LLC (US) 2018-10-16 — — US disclosed
US-20180118710-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2018-05-03 — — US disclosed
US-9884842-B2 Combretastatin analogs BIOVENTURES, LLC (US) 2018-02-06 — — US disclosed
US-9856236-B2 Substituted quinoxalines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2018-01-02 — — US disclosed
US-9290478-B2 Substituted quinoxalines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-03-22 — — US disclosed
US-20160068506-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2016-03-10 — — US disclosed
EP-2986596-A2 COMBRETASTATIN ANALOGS The Board of Trustees of the University of Arkansas (US) 2016-02-24 — — EP disclosed
US-20160031856-A1 SUBSTITUTED QUINOXALINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2016-02-04 — — US disclosed
US-9145394-B2 — — 2015-09-29 — — US disclosed
EP-1928456-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS INC (US) 2015-04-22 — — EP disclosed
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 — — US disclosed
US-7563787-B2 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2009-07-21 — — US disclosed
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 — — US disclosed
EP-1928456-A2 SUBSTITUTED PYRAZOLE COMPOUNDS Miikana Therapeutics, Inc. (US) 2008-06-11 — — EP disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 — — EP disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 — — US disclosed
WO-2007041358-A2 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2007-04-12 — — WO disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 — — WO disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 — — US disclosed
US-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 — — 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 (7 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES CYP1A1 54/4885CYP1B1 198/4885NQO2 786/4885
US-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB CYP1A1 4188/4885CYP1B1 3429/4885NQO2 1339/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB CYP1A1 4175/4885CYP1B1 3515/4885NQO2 1061/4885
US-20180118710-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 CYP1A1 4049/4885CYP1B1 2377/4885NQO2 873/4885
US-10100029-B2 Combretastatin analogs HDAC6, HDAC11, HDAC5 CYP1A1 4049/4885CYP1B1 2377/4885NQO2 873/4885
US-20160031856-A1 SUBSTITUTED QUINOXALINES AS FGFR KINASE INHIBITORS FGFR1, FGFR3, ABL1 CYP1A1 1521/4885CYP1B1 952/4885NQO2 20/4885
US-20160068506-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 CYP1A1 4049/4885CYP1B1 2377/4885NQO2 873/4885

“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.