SCHEMBL5007598

SCHEMBL5007598

CCCOC(=O)C(C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.45
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL12582839 1.00 HCAR2 (0.45) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL25387244 0.90 HCAR2 (0.43) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL17212387 0.87 SMN1; SMN2 (0.35) HCAR2ALDH1A1TSHRHSD17B10MAPT
SCHEMBL7224938 0.86 ALDH1A1 (0.54) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL17403977 0.86 ALDH1A1 (0.54) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL7224840 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRMAPK1
SCHEMBL7223295 0.82 NAAA (0.55) HCAR2ALDH1A1LMNATSHR
SCHEMBL7217000 0.82 NAAA (0.55) HCAR2ALDH1A1LMNATSHR
SCHEMBL7223840 0.82 NAAA (0.55) HCAR2ALDH1A1LMNATSHR
SCHEMBL7219188 0.82 NAAA (0.55) HCAR2ALDH1A1LMNATSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115436517-B GC-MS (gas chromatography-mass spectrometry) -based linear discrimination method for origin tracing of cloud-produced dam 云南中烟工业有限责任公司 2023-09-19 CN claimed
CN-115436517-A GC-MS-based linear discrimination method for origin tracing of cloud-produced wild dams 云南中烟工业有限责任公司 2022-12-06 CN claimed
CN-115436517-B GC-MS (gas chromatography-mass spectrometry) -based linear discrimination method for origin tracing of cloud-produced dam 云南中烟工业有限责任公司 2023-09-19 CN disclosed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed
US-5149823-A Sulfonamide substituted spirodilactams SHELL OIL COMPANY (US) 1992-09-22 US disclosed
US-5145910-A Ketocarboxylated polymers SHELL OIL COMPANY (US) 1992-09-08 US disclosed
US-5112938-A CYANO- AND CARBOXY-SUBSTITUTED SPIRODILACTAMS SHELL OIL COMPANY (US) 1992-05-12 US disclosed
US-5093499-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5061780-A Poly(ether-bis-imide-spiro dilactam) polymer SHELL OIL COMPANY (US) 1991-10-29 US disclosed
US-5037948-A Cyano- and carboxy-substituted spirodilactams SHELL OIL COMPANY (US) 1991-08-06 US disclosed
US-5028688-A Polyamideimide polymers SHELL OIL COMPANY (US) 1991-07-02 US disclosed
US-4978736-A Polyamideimide polymers SHELL OIL COMPANY (US) 1990-12-18 US disclosed
US-4939251-A Novel spirolactones SHELL OIL COMPANY (US) 1990-07-03 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 (1 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-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT HCAR2 856/4885ALDH1A1 636/4885LMNA 3425/4885

“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.