SCHEMBL6892214

SCHEMBL6892214

CC(C)COC(=O)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP8 P22894 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL234737 0.86 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL31058602 0.84 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5972501 0.83 TSHR (0.41) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL7155936 0.83 TSHR (0.41) TSHRALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5972658 0.81 TSHR (0.39) TSHRALDH1A1TDP1L3MBTL1MMP8
SCHEMBL5972522 0.81 TSHR (0.39) TSHRALDH1A1TDP1L3MBTL1MMP8
SCHEMBL6892165 0.81 TSHR (0.39) TSHRALDH1A1TDP1L3MBTL1MMP8
SCHEMBL560964 0.81 TSHR (0.39) TSHRALDH1A1TDP1L3MBTL1MMP8
SCHEMBL25899867 0.81 EGFR (0.35) ALDH1A1MMP8MAPTLMNA
SCHEMBL29343775 0.80 LMNA (0.32) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 US disclosed
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-01-31 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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

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

For each of this compound's patents that has machine-readable text (13 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-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L TSHR 4488/4885ALDH1A1 113/4885TDP1 4453/4885
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885TDP1 3433/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885TDP1 2311/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885TDP1 3433/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885TDP1 3433/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B TSHR 520/4885ALDH1A1 432/4885TDP1 718/4885
US-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD TSHR 617/4885ALDH1A1 760/4885TDP1 1334/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885TDP1 3433/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB TSHR 1502/4885ALDH1A1 307/4885TDP1 1148/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885TDP1 2311/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B TSHR 3059/4885ALDH1A1 760/4885TDP1 388/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885ALDH1A1 1082/4885TDP1 3433/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885ALDH1A1 599/4885TDP1 2311/4885

“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.