SCHEMBL2900301

SCHEMBL2900301

[CH2]CCCOC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRKCA P17252 2/20 0.38
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.31
ELANE P08246 1/20 0.31
BRD4 O60885 1/20 0.30
NAAA Q02083 1/20 0.30
MEN1 O00255 1/20 0.30
GBA1 P04062 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL3997236 0.91 TSHR (0.39) POLBGAANPSR1PRKCATSHR
SCHEMBL10990413 0.91 TSHR (0.39) POLBGAANPSR1PRKCATSHR
SCHEMBL720297 0.86 POLB (0.43) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL27819169 0.85 POLB (0.46) POLBGAANPSR1PRKCATSHR
SCHEMBL7989588 0.85 POLB (0.46) POLBGAANPSR1PRKCATSHR
SCHEMBL29049106 0.83 POLB (0.44) POLBGAANPSR1PRKCATSHR
SCHEMBL4953953 0.83 POLB (0.35) POLBGAANPSR1TSHRALDH1A1
SCHEMBL4258156 0.80 POLB (0.48) POLBGAANPSR1PRKCATSHR
SCHEMBL126843 0.79 ALDH1A1 (0.56) POLBGAANPSR1TSHRALDH1A1
SCHEMBL2531853 0.79 CYP4F2 (0.47) POLBGAANPSR1PRKCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591426-B2 Copolymer, wetting agent, medical device, and method for producing same TORAY INDUSTRIES, INC. (JP) 2023-02-28 US disclosed
EP-3438144-B1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES (JP) 2021-06-30 EP disclosed
US-20210015960-A1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2021-01-21 US disclosed
US-20190099511-A1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2019-04-04 US disclosed
EP-3438144-A1 COPOLYMER, WETTING AGENT, MEDICAL DEVICE, AND METHOD FOR PRODUCING SAME Toray Industries, Inc. (JP) 2019-02-06 EP disclosed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
EP-0940383-B1 Method for the selective alkylation of aldehydes with organozinc compounds CHEMETALL GMBH (DE) 2003-06-18 EP disclosed
EP-0664782-B2 ENANTIOMERIC RESOLUTION ALBEMARLE CORP (US) 2001-02-14 EP disclosed
WO-1994008934-A1 ENANTIOMERIC RESOLUTION ALBEMARLE CORPORATION (US) 1994-04-28 WO disclosed
WO-1994008936-A1 ENANTIOMERIC RESOLUTION ALBEMARLE CORPORATION (US) 1994-04-28 WO disclosed
WO-1994008935-A1 ENANTIOMERIC RESOLUTION ALBEMARLE CORPORATION (US) 1994-04-28 WO disclosed
WO-1994008937-A1 ENANTIOMERIC RESOLUTION ALBEMARLE CORPORATION (US) 1994-04-28 WO disclosed
US-5278337-A Enantiomeric resolution of aryl-substituted aliphatic carboxylic acids ETHYL CORPORATION (US) 1994-01-11 US disclosed
US-5260482-A Enantiomeric resolution ETHYL CORPORATION (US) 1993-11-09 US disclosed
US-5256816-A Enantiomeric resolution ETHYL CORPORATION (US) 1993-10-26 US disclosed
US-5248813-A Enantiomeric resolution ETHYL CORPORATION (US) 1993-09-28 US disclosed
US-4808620-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
EP-0254241-A1 Pyrazolopyridine compounds, their preparation and use Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-27 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 (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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 POLB 2457/4885GAA 394/4885NPSR1 109/4885

“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.