SCHEMBL2900644

SCHEMBL2900644

[CH2]CCOC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PRKCA P17252 2/20 0.37
CA2 P00918 1/20 0.36
DPP4 P27487 1/20 0.35
TSHR P16473 2/20 0.34
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 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
SCHEMBL4198019 0.87 MMP1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18378814 0.85 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL452697 0.81
SCHEMBL7630194 0.79 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2529389 0.79 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL113763 0.79 CYP19A1 (0.49) MMP1MMP2MMP3MMP9MMP13
SCHEMBL901332 0.79 CYP19A1 (0.49) MMP1MMP2MMP3MMP9MMP13
SCHEMBL133737 0.79 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7631813 0.79 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2529388 0.79 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13

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 12 patents. 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
CN-112367986-A Novel lipids 萨恩帕斯药物有限公司 2021-02-12 CN 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-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-0601439-B1 Dye mixtures containing dyes with a coupling component of the diaminopyridine type BASF AG (DE) 1999-07-07 EP disclosed
US-5484460-A FOR USE IN DYEING OR PRINTING TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5403363-A Applying to textile material for printing and dyeing; colorfastness BASF AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed
EP-0601439-A2 Dye mixtures containing dyes with a coupling component of the diaminopyridine type BASF Aktiengesellschaft (DE) 1994-06-15 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 MMP1 3530/4885MMP2 2658/4885MMP3 2183/4885

“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.