SCHEMBL910343

SCHEMBL910343

CCOc1ccc(CCC=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
GPR84 Q9NQS5 1/20 0.48
ACACB O00763 3/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PARP10 Q53GL7 1/20 0.43
RELA Q04206 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11197518 0.89 NQO1 (0.50) NQO1GPR84ACACBSLC5A1SLC5A2
SCHEMBL12549249 0.87 NQO1 (0.48) NQO1GPR84ACACBSLC5A1SLC5A2
SCHEMBL3188400 0.85 LMNA (0.51) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL909957 0.85 LMNA (0.58) ACACBSLC5A1SLC5A2ALDH1A1RELA
SCHEMBL27028938 0.83 LMNA (0.48) GPR84ACACBALDH1A1KDM4ESMN1; SMN2
SCHEMBL14675118 0.82 NQO1 (0.56) NQO1GPR84ACACBSLC5A1SLC5A2
SCHEMBL11315075 0.82 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2
SCHEMBL2559226 0.82 NQO1 (0.61) NQO1TSHRTDP1ALDH1A1PARP10
SCHEMBL5674310 0.81 FFAR1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL1667124 0.81 NR5A1 (0.53) TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
EP-4072538-A1 TREATMENTS OF DIABETIC MACULAR EDEMA AND IMPAIRED VISUAL ACUITY Kalvista Pharmaceuticals Limited (GB) 2022-10-19 EP disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
US-9598384-B2 3-(2-amino-ethyl)-alkylidene)-thiazolidine-2,4-dione and 1-(2-amino-ethyl)-alkylidene-1,3-dihydro-indol-2-one derivatives as selective sphingosine kinase 2 inhibitors VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-03-21 US disclosed
US-20160159758-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS UNIV VIRGINIA COMMONWEALTH (US) 2016-06-09 US disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20150005353-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-01-01 US disclosed
EP-1578717-A2 NITRONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING INFLAMMATION AND NEUROPATHIC PAIN Renovis, Inc. (US) 2005-09-28 EP disclosed
US-20040142983-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain RENOVIS, INC. 2004-07-22 US disclosed
WO-2004034999-A2 NITRONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING INFLAMMATION AND NEUROPATHIC PAIN RENOVIS, INC. (US) 2004-04-29 WO disclosed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP disclosed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP disclosed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP disclosed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US disclosed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 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-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 NQO1 412/4885GPR84 2113/4885ACACB 821/4885
US-20160159758-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS SPHK2, SPHK1, S1PR2 NQO1 3820/4885GPR84 1083/4885ACACB 1139/4885
US-20040142983-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain MMP8, PTGES, NGF NQO1 13/4885GPR84 536/4885ACACB 675/4885
US-20150005353-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS SPHK2, SPHK1, S1PR2 NQO1 3820/4885GPR84 1083/4885ACACB 1139/4885

“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.