SCHEMBL1896383

SCHEMBL1896383

C=CCOc1c(C=O)cccc1CC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 4/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL11602955 0.84 GABRA1 (0.47) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL31130510 0.82 CA1 (0.53) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL7135448 0.82 CA1 (0.53) GABRA1GABRB2ALDH1A1KDM4EMAPT
SCHEMBL3944635 0.80 HPGD (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2HPGD
SCHEMBL7809004 0.80 MAPT (0.60) GABRA1GABRB2ALDH1A1MAPTTDP1
SCHEMBL23748226 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1POLBSMN1; SMN2
SCHEMBL16149262 0.79 ERN1 (0.44) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL30593089 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1POLBSMN1; SMN2
SCHEMBL30739961 0.79 CA1 (0.57) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL11293049 0.79 CXCR5 (0.43) ALDH1A1KDM4EMAPTTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-10166229-B2 Compounds and methods for the treatment of cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-01-01 US disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 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
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
US-9522901-B2 Compositions and methods including cell death inducers and procaspase activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-12-20 US disclosed
US-9522901-B2 Compositions and methods including cell death inducers and procaspase activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-12-20 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-20140073609-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-03-13 US disclosed
US-20140073609-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-03-13 US disclosed
US-8236789-B2 1-adamantyl azetidin-2-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-07 US disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 US disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 US disclosed
US-20110257398-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-20 US disclosed
US-20110257398-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-20 US disclosed
EP-2322505-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME Kowa Company, Ltd. (JP) 2011-05-18 EP disclosed
US-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD., (JP) 2010-03-25 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS CASP3, CASP6, BAX GABRA1 4262/4885GABRB2 3669/4885ALDH1A1 892/4885
US-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD3B1, CYP46A1 GABRA1 2835/4885GABRB2 3364/4885ALDH1A1 169/4885
US-20140073609-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation CASP3, CASP6, CASP5 GABRA1 4549/4885GABRB2 4547/4885ALDH1A1 2167/4885
US-20110257398-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation CASP3, CASP6, CASP5 GABRA1 4549/4885GABRB2 4547/4885ALDH1A1 2167/4885
US-10166229-B2 Compounds and methods for the treatment of cancer CASP3, CASP6, CASP5 GABRA1 4473/4885GABRB2 4458/4885ALDH1A1 926/4885
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, BAX, CASP6 GABRA1 4544/4885GABRB2 4001/4885ALDH1A1 1106/4885
US-20170105989-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, CASP6, CASP5 GABRA1 4473/4885GABRB2 4458/4885ALDH1A1 926/4885
US-11612598-B2 Compounds and methods for the treatment of cancer CASP3, BAX, CASP6 GABRA1 4544/4885GABRB2 4001/4885ALDH1A1 1106/4885
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 GABRA1 3738/4885GABRB2 3610/4885ALDH1A1 1256/4885

“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.