Sugi Predict

Sugi Predict / Compounds / SCHEMBL10324970

SCHEMBL10324970

SCHEMBL10324970

CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(C)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 0.82
▸ ESR2 Q92731 13/20 0.82
▸ ACHE P22303 2/20 0.82
▸ NR1I2 O75469 2/20 0.82
▸ ALDH1A1 P00352 2/20 0.82
▸ MAPT P10636 2/20 0.82
▸ CYP1A2 P05177 2/20 0.82
▸ CYP3A4 P08684 2/20 0.82
▸ CYP2D6 P10635 2/20 0.82
▸ PTGS2 P35354 2/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ USP2 O75604 1/20 0.82
▸ LMNA P02545 1/20 0.82
▸ NR3C1 P04150 1/20 0.82
▸ TP53 P04637 1/20 0.82
▸ FYN P06241 1/20 0.82
▸ PGR P06401 1/20 0.82
▸ CHRM2 P08172 1/20 0.82
▸ ADRB1 P08588 1/20 0.82
▸ ADRA2A P08913 1/20 0.82

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
Diethylstilbestrol SCHEMBL6542190 0.91 ESR1 (1.00) ESR1ESR2ACHENR1I2ALDH1A1
Diethylstilbestrol SCHEMBL9223 0.91 ESR1 (1.00) ESR1ESR2ACHENR1I2ALDH1A1
Diethylstilbestrol SCHEMBL27372002 0.91 ESR1 (1.00) ESR1ESR2ACHENR1I2ALDH1A1
Diethylstilbestrol SCHEMBL9224 0.91 ESR1 (1.00) ESR1ESR2ACHENR1I2ALDH1A1
SCHEMBL8993926 0.91 ESR1 (0.64) ESR1ESR2ACHENR1I2ALDH1A1
SCHEMBL8993933 0.91 ESR1 (0.64) ESR1ESR2ACHENR1I2ALDH1A1
Diethylstilbestrol SCHEMBL17594535 0.88 ESR1 (0.95) ESR1ESR2ACHENR1I2ALDH1A1
Diethylstilbestrol SCHEMBL21351798 0.88 ESR1 (0.95) ESR1ESR2ACHENR1I2ALDH1A1
Diethylstilbestrol SCHEMBL28317397 0.88 ESR1 (0.95) ESR1ESR2ACHENR1I2ALDH1A1
Diethylstilbestrol SCHEMBL11333418 0.88 ESR1 (0.95) ESR1ESR2ACHENR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2017-11-09 — — US disclosed
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 — — US disclosed
US-9453017-B2 Antiviral therapies with phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2016-09-27 — — US disclosed
US-9267122-B2 Modulation of phospholipase D for the treatment of neurodegenerative disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-23 — — US disclosed
US-20150025041-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2015-01-22 — — US disclosed
US-20140378524-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY 2014-12-25 — — US disclosed
US-20140248634-A1 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2014-09-04 — — US disclosed
US-20140163055-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION VANDERBILT UNIVERSITY 2014-06-12 — — US disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 — — US disclosed
US-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 — — US disclosed
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF SOUTH FLORIDA (US) 2011-12-08 — — US disclosed
US-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING XOMA TECHNOLOGY LTD. 2011-04-28 — — US disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 — — 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 (8 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-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING VEGFA, KDR, FLT4 ESR1 3880/4885ESR2 1712/4885ACHE 4884/4885
US-20140378524-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD ESR1 4079/4885ESR2 4167/4885ACHE 714/4885
US-20140163055-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION PLD3, SMPD3, SMPD1 ESR1 3533/4885ESR2 3956/4885ACHE 154/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 ESR1 284/4885ESR2 396/4885ACHE 4884/4885
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD ESR1 4079/4885ESR2 4167/4885ACHE 714/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 ESR1 3843/4885ESR2 3181/4885ACHE 3244/4885
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS JAK2, JAK1, JAK3 ESR1 2332/4885ESR2 1394/4885ACHE 4871/4885
US-20150025041-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS PLD1, PLA2G2D, PLD2 ESR1 3835/4885ESR2 4285/4885ACHE 619/4885

“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.