SCHEMBL3008201

SCHEMBL3008201

O=C(O)c1ccc(C#CC#CC2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 3/20 0.46
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
FFAR1 O14842 3/20 0.38
PTPN11 Q06124 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
RARA P10276 1/20 0.37
CRABP2 P29373 1/20 0.37
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MMP13 P45452 1/20 0.35
USP2 O75604 1/20 0.35
GRM5 P41594 1/20 0.34

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 0.89 FFAR1 (0.46) HAO1RARBRARGFFAR1PTPN11
SCHEMBL3022123 0.88 FFAR1 (0.45) HAO1RARBRARGFFAR1PTPN11
SCHEMBL3019877 0.86 FFAR1 (0.46) HAO1RARBRARGFFAR1PTPN11
SCHEMBL3016768 0.83 HPGD (0.44) HAO1PTPN11MAPT
SCHEMBL18712239 0.82 GRM5 (0.45) HAO1RARBRARGFFAR1PTPN11
SCHEMBL13737676 0.80 FFAR1 (0.43) HAO1RARBRARGFFAR1PTPN11
SCHEMBL16840408 0.79 RARB (0.37) HAO1RARBRARGPTPN11CYP26A1
SCHEMBL927052 0.77 FFAR1 (0.58) HAO1RARBRARGFFAR1PTPN11
SCHEMBL2679567 0.77 TSHR (0.60) RARBRARGPTPN11CYP26A1CYP3A4
SCHEMBL16840376 0.76 RARB (0.43) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 HAO1 1626/4885RARB 1644/4885RARG 2102/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HAO1 1626/4885RARB 1644/4885RARG 2102/4885

“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.