SCHEMBL2610461

SCHEMBL2610461

COc1ccc(COC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
AGXT P21549 2/20 0.57
SLC6A4 P31645 1/20 0.53
APP P05067 5/20 0.50
MAOB P27338 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CALM1 P0DP23 1/20 0.47
LTA4H P09960 1/20 0.47
TAAR1 Q96RJ0 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
SCHEMBL649272 0.86 IDO1 (0.44) IDO1AGXTSLC6A4TAAR1
SCHEMBL682849 0.83 IDO1 (0.53) IDO1AGXTSLC6A4APPMAOB
SCHEMBL6525289 0.83 IDO1 (0.53) IDO1AGXTSLC6A4APPMAOB
SCHEMBL7492817 0.83 IDO1 (0.53) IDO1AGXTSLC6A4APPMAOB
SCHEMBL12502485 0.83 IDO1 (0.53) IDO1AGXTSLC6A4APPMAOB
SCHEMBL14545522 0.83 ADRB2 (0.55) IDO1AGXTSLC6A4APPMAOB
SCHEMBL18504830 0.83 POLB (0.53)
SCHEMBL10819596 0.82 MAOB (0.60) APPMAOB
SCHEMBL12134040 0.82 ACACB (0.39) IDO1AGXTSLC6A4
SCHEMBL28885907 0.82 IDO1 (0.52) IDO1AGXTSLC6A4APPMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT ONECUREGEN CO., LTD. (KR) 2023-07-13 US disclosed
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates AMGEN INC. (US) 2023-06-01 US disclosed
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates AMGEN INC. (US) 2023-06-01 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
WO-2021226009-A1 SYNTHESIS OF VINYL CYCLOBUTYL INTERMEDIATES AMGEN INC. (US) 2021-11-11 WO disclosed
US-20120321855-A1 PATTERN FORMING METHOD AND RESIST COMPOSITION FUJIFILM CORPORATION (JP) 2012-12-20 US disclosed
US-20120301817-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-11-29 US disclosed
US-20120301817-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-11-29 US disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 WO disclosed
US-20120282548-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-11-08 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 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 (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-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates MCL1, BCL2A1, BAK1 IDO1 2038/4885AGXT 3008/4885SLC6A4 4794/4885
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates MCL1, BCL2A1, BAK1 IDO1 1712/4885AGXT 3957/4885SLC6A4 4834/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 IDO1 1065/4885AGXT 4641/4885SLC6A4 370/4885
US-20230167130-A1 Ring Closing Synthesis of Macrocyclic MCL-1 Inhibitor Intermediates MCL1, BAK1, BCLAF1 IDO1 1797/4885AGXT 3595/4885SLC6A4 4725/4885
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C IDO1 117/4885AGXT 2405/4885SLC6A4 3307/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB IDO1 589/4885AGXT 2878/4885SLC6A4 4082/4885
US-20230219894-A1 DISUBSTITUTED ADAMANTYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FOR SUPPRESSING CANCER GROWTH COMPRISING SAME AS ACTIVE INGREDIENT AK2, CS, GOT2 IDO1 3895/4885AGXT 3384/4885SLC6A4 1441/4885
US-20120282548-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION AND RESIST FILM RAD51, RER1, RXRA IDO1 4596/4885AGXT 1844/4885SLC6A4 3070/4885

“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.