SCHEMBL6894748

SCHEMBL6894748

CC(C)COC(=O)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
ADRB3 P13945 1/20 0.54
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 1/20 0.44
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
MDM2 Q00987 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2239097 0.98 ADRB2 (0.53) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL10322321 0.96 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL1170276 0.92 ADRB2 (0.47) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL6141274 0.91 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL1196568 0.91 ADRB2 (0.45) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL1169784 0.88 ADRB2 (0.44) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL812974 0.85 ADRB2 (0.49) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL1297781 0.84 ADRB2 (0.42) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL1296672 0.84 ADRB2 (0.44) ADRB2ADRB1ADRB3ALDH1A1RAB9A
SCHEMBL20694820 0.84 ADRB2 (0.55) ADRB2ADRB1ADRB3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300791-A Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2019-10-01 CN claimed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
CN-110300791-A Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2019-10-01 CN disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-02-10 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
WO-2010151711-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. (US) 2010-12-29 WO disclosed
WO-2010151689-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2010-12-29 WO disclosed
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 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 (11 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-20110034416-A1 4-PYRIDINONE COMPOUNDS AND THEIR USE FOR CANCER DPYD, CDK4, G6PD ADRB2 2152/4885ADRB1 1484/4885ADRB3 1528/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ADRB2 4654/4885ADRB1 4550/4885ADRB3 4187/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B ADRB2 108/4885ADRB1 33/4885ADRB3 150/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ADRB2 4654/4885ADRB1 4550/4885ADRB3 4187/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ADRB2 787/4885ADRB1 883/4885ADRB3 1422/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ADRB2 1165/4885ADRB1 1213/4885ADRB3 1195/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ADRB2 4654/4885ADRB1 4550/4885ADRB3 4187/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 ADRB2 4654/4885ADRB1 4550/4885ADRB3 4187/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 ADRB2 4561/4885ADRB1 4084/4885ADRB3 3904/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ADRB2 787/4885ADRB1 883/4885ADRB3 1422/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ADRB2 787/4885ADRB1 883/4885ADRB3 1422/4885

“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.