SCHEMBL3019877

SCHEMBL3019877

O=C(O)c1ccc(C#CC#CC2CCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
HAO1 Q9UJM8 4/20 0.42
PTPN11 Q06124 1/20 0.41
CYP26A1 O43174 1/20 0.39
CYP3A4 P08684 1/20 0.39
RARA P10276 1/20 0.39
CRABP2 P29373 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SRD5A2 P31213 1/20 0.38
MMP13 P45452 1/20 0.37
GRM5 P41594 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HCAR3 P49019 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13245197 0.93 FFAR1 (0.46) FFAR1FFAR4RARBRARGHAO1
SCHEMBL3022123 0.92 FFAR1 (0.45) FFAR1FFAR4RARBRARGHAO1
SCHEMBL18712239 0.86 GRM5 (0.45) FFAR1FFAR4RARBRARGHAO1
SCHEMBL3008201 0.86 HAO1 (0.46) FFAR1FFAR4RARBRARGHAO1
SCHEMBL4498928 0.85 FFAR1 (0.60) FFAR1FFAR4RARBRARGHAO1
SCHEMBL13737676 0.84 FFAR1 (0.43) FFAR1FFAR4RARBRARGHAO1
SCHEMBL13931090 0.83 FFAR1 (0.61) FFAR1FFAR4RARBRARGHAO1
SCHEMBL3007588 0.82 PTPN11 (0.46) PTPN11KMT2A
SCHEMBL927052 0.81 FFAR1 (0.58) FFAR1FFAR4RARBRARGHAO1
SCHEMBL2679567 0.80 TSHR (0.60) RARBRARGPTPN11CYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 FFAR1 1753/4885FFAR4 2188/4885RARB 1644/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 FFAR1 1753/4885FFAR4 2188/4885RARB 1644/4885

“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.