SCHEMBL9235329

SCHEMBL9235329

O=Cc1cc(-c2ccc(F)cc2F)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
DHFR P00374 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 1/20 0.59
TTR P02766 1/20 0.59
ALB P02768 1/20 0.59
HMGB1 P09429 1/20 0.59
HPGD P15428 1/20 0.59
CXCL12 P48061 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
ACMSD Q8TDX5 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ERN1 O75460 15/20 0.49
PIM1 P11309 1/20 0.47

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
SCHEMBL11014814 0.87 TTR (0.55) KDM4EMEN1USP2ALDH1A1DHFR
SCHEMBL868189 0.84 ERN1 (0.62) KDM4EMEN1USP2ALDH1A1DHFR
SCHEMBL15372412 0.82 ERN1 (0.45) KDM4EMEN1USP2ALDH1A1DHFR
SCHEMBL505574 0.81 PIM1 (0.50) KDM4EMEN1USP2ALDH1A1DHFR
SCHEMBL2789137 0.81 ERN1 (0.66) ALDH1A1ERN1
SCHEMBL29694520 0.80 ERN1 (0.57) ERN1
SCHEMBL117649 0.80 ERN1 (0.57) ERN1
SCHEMBL12834085 0.78 ERN1 (0.71) MEN1USP2ALDH1A1KMT2AERN1
SCHEMBL6644760 0.78 ESR1 (0.63) KDM4ELMNAHSD17B10ERN1
SCHEMBL12395484 0.77 PIM1 (0.47) KDM4EMEN1USP2ALDH1A1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466682-A Bone disorders ISTITUTO GENTILI S.P.A. (IT) 1995-11-14 US claimed
CN-113801087-B Benzo-six-membered ring derivatives as DPP-4 inhibitors and uses thereof 山东百极地长制药有限公司 2024-08-30 CN disclosed
CN-113801088-B Benzo six-membered ring derivative and application thereof 山东百极地长制药有限公司 2024-04-26 CN disclosed
US-11612598-B2 Compounds and methods for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-03-28 US disclosed
CN-113801087-A Benzo-hexatomic ring derivative as DPP-4 inhibitor and application thereof 山东百极地长制药有限公司 2021-12-17 CN disclosed
CN-113801088-A Benzo-six-membered ring derivative and application thereof 山东百极地长制药有限公司 2021-12-17 CN disclosed
WO-2021249566-A1 BENZO SIX-MEMBERED RING DERIVATIVE AND USE THEREOF 山东百极地长制药有限公司 2021-12-16 WO disclosed
EP-1893210-B1 SELECTIVE APOPTOTIC INDUCTION IN CANCER CELLS INCLUDING ACTIVATION OF PROCASPASE-3 UNIV ILLINOIS (US) 2019-10-02 EP disclosed
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-07-04 US disclosed
US-20170105989-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-20 US disclosed
WO-2010009215-A1 NICOTINIC ACID RECEPTOR AGONIST COMPOUNDS USEFUL TO TREAT METABOLIC SYNDROMES SCHERING CORPORATION (US) 2010-01-21 WO disclosed
WO-2008134474-A2 COMPOSITIONS AND METHODS INCLUDING CELL DEATH INDUCERS AND PROCASPASE ACTIVATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-11-06 WO disclosed
US-20070049602-A1 Selective Apoptotic Induction in Cancer Cells Including Activation of Procaspase-3 THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-03-01 US disclosed
US-20070049602-A1 Selective Apoptotic Induction in Cancer Cells Including Activation of Procaspase-3 THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-03-01 US disclosed
EP-0254354-B1 PHARMACEUTICALLY USEFUL DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID ZAMBON S.p.A. (IT) 1993-03-31 EP disclosed
US-4840936-A ANTIFLAMMATORY, ANALGESIC AGENT TO PREVENT ARRHYTHMIAS ZAMBON S.P.A. (IT) 1989-06-20 US disclosed
EP-0254354-A1 Pharmaceutically useful derivatives of thiazolidine-4-carboxylic acid ZAMBON S.p.A. (IT) 1988-01-27 EP disclosed
US-4711879-A IMMUNO-MODULATING ACTIVITY CIBA-GEIGY CORPORATION (US) 1987-12-08 US disclosed
US-4640911-A IMMUNOSTIMULANTS, VIRICIDES SUCH AS HERPES SIMPLEX CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed
EP-0163286-A2 Acylated sugars, method for their preparation and their use CIBA-GEIGY AG (CH) 1985-12-04 EP 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-20070049602-A1 Selective Apoptotic Induction in Cancer Cells Including Activation of Procaspase-3 CASP3, CASP7, CASP6 KDM4E 2612/4885MEN1 2100/4885USP2 1317/4885
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, BAX, CASP6 KDM4E 1254/4885MEN1 3135/4885USP2 2600/4885
US-20170105989-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, CASP6, CASP5 KDM4E 529/4885MEN1 3608/4885USP2 2371/4885
US-11612598-B2 Compounds and methods for the treatment of cancer CASP3, BAX, CASP6 KDM4E 1254/4885MEN1 3135/4885USP2 2600/4885

“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.