SCHEMBL6892472

SCHEMBL6892472

CCC(C)C(=O)OC(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 2/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18510074 0.89 CTSK (0.30) CTSK
SCHEMBL17515443 0.84 KDM4E (0.31) ALDH1A1
SCHEMBL6894086 0.82 CTSK (0.41) CTSKALDH1A1CYP3A4SMN1; SMN2
SCHEMBL10087761 0.81 CA2 (0.38) CTSKALDH1A1SMN1; SMN2
SCHEMBL6892269 0.81 ALDH1A1 (0.31) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1866475 0.80 TSHR (0.43) ALDH1A1HSD17B10MAPT
SCHEMBL17617132 0.80 TSHR (0.43) ALDH1A1HSD17B10MAPT
SCHEMBL580557 0.80 TSHR (0.43) ALDH1A1HSD17B10MAPT
SCHEMBL13541326 0.80 TSHR (0.43) ALDH1A1HSD17B10MAPT
SCHEMBL17515455 0.79

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 60 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-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
EP-3415494-B1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2019-10-30 EP disclosed
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
EP-3168207-B1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2019-02-06 EP 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-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 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-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease 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-20110014570-A1 RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 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
US-7666574-B2 Positive resist composition and pattern forming method FUJIFILM CORPORATION (JP) 2010-02-23 US disclosed
US-20080241746-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 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 (12 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 CTSK 2222/4885ALDH1A1 113/4885HSD17B10 150/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CTSK 4290/4885ALDH1A1 599/4885HSD17B10 615/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885ALDH1A1 599/4885HSD17B10 615/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CTSK 4290/4885ALDH1A1 599/4885HSD17B10 615/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CTSK 1006/4885ALDH1A1 1082/4885HSD17B10 1281/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B CTSK 3756/4885ALDH1A1 432/4885HSD17B10 1797/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CTSK 2095/4885ALDH1A1 307/4885HSD17B10 501/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885ALDH1A1 599/4885HSD17B10 615/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CTSK 3161/4885ALDH1A1 760/4885HSD17B10 271/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CTSK 1006/4885ALDH1A1 1082/4885HSD17B10 1281/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 CTSK 1006/4885ALDH1A1 1082/4885HSD17B10 1281/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885ALDH1A1 599/4885HSD17B10 615/4885

“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.