SCHEMBL4896084

SCHEMBL4896084

O=C(O)CCCCC(=O)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
KMT2A Q03164 5/20 0.55
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
MAPT P10636 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PPARA Q07869 3/20 0.49

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
SCHEMBL27834764 0.98 PRSS1 (0.64) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL27476525 0.98 PRSS1 (0.64) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL5158927 0.98 PRSS1 (0.64) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL5164147 0.98 PRSS1 (0.64) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL21879683 0.98 PRSS1 (0.64) PRSS1PRSS2PRSS3KMT2AEGFR
Adipic Acid SCHEMBL28248016 0.96 PRSS1 (0.57) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL7569171 0.96 PRSS1 (0.57) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL28234435 0.94 PRSS1 (0.55) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL43233 0.94 PRSS1 (0.67) PRSS1PRSS2PRSS3KMT2AEGFR
SCHEMBL25297232 0.92 PRSS1 (0.70) PRSS1PRSS2PRSS3KMT2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020085686-A1 POLYMERIZABLE COMPOSITION, AND COPOLYCARBONATE ESTER AND METHOD FOR PRODUCING SAME 에스케이케미칼 주식회사 2020-04-30 WO disclosed
US-20170275389-A1 NOVEL GLYCAN CONJUGATES AND USE THEREOF ACADEMIA SINICA (TW) 2017-09-28 US disclosed
US-20080193481-A1 Synthetic Anti-Candida Albicans Oligosaccharide Based Vaccines GOVERNORS OF THE UNIVERSITY OF ALBERTA 2008-08-14 US disclosed
EP-1863536-A1 SYNTHETIC ANTI-CANDIDA ALBICANS OLIGOSACCHARIDE BASED VACCINES The Governors of the University of Alberta (CA) 2007-12-12 EP disclosed
WO-2006096970-A1 SYNTHETIC ANTI-CANDIDA ALBICANS OLIGOSACCHARIDE BASED VACCINES GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2006-09-21 WO disclosed
CN-1007818-B IMPACT RESISTANT POLYMERIC COMPOSITIONS SHELL INT RESEARCH (NL) 1990-05-02 CN disclosed
CN-86105690-A IMPACT RESISTANT POLYMERIC COMPOSITIONS 1987-04-08 CN disclosed
US-4308269-A ANTITUMOUR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US disclosed
EP-0021173-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-01-07 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 (2 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-20080193481-A1 Synthetic Anti-Candida Albicans Oligosaccharide Based Vaccines DDOST, FUT5, STT3B PRSS1 1686/4885PRSS2 2523/4885PRSS3 1808/4885
US-20170275389-A1 NOVEL GLYCAN CONJUGATES AND USE THEREOF STT3B, ST3GAL3, FUT6 PRSS1 3523/4885PRSS2 3863/4885PRSS3 3329/4885

“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.