SCHEMBL254253

SCHEMBL254253

O=C(O)c1ccc(C#Cc2ccc(CO)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.55
RARG P13631 2/20 0.55
ACACB O00763 1/20 0.54
PTPN11 Q06124 1/20 0.51
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 7/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
FFAR4 Q5NUL3 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP26A1 O43174 1/20 0.45
CYP3A4 P08684 1/20 0.45
RARA P10276 1/20 0.45
CRABP2 P29373 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
SRD5A2 P31213 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13245019 0.92 ACACB (0.48) RARBRARGACACBPTPN11ALDH1A1
Terephthalic Acid SCHEMBL28358133 0.87 TSHR (0.63) ALDH1A1TSHRTP53SMN1; SMN2NPC1
SCHEMBL49984 0.87 TSHR (0.63) ALDH1A1TSHRTP53SMN1; SMN2NPC1
Terephthalic Acid SCHEMBL28453225 0.87 TSHR (0.63) ALDH1A1TSHRTP53SMN1; SMN2NPC1
SCHEMBL15251986 0.85 TSHR (0.60) ALDH1A1TSHRTP53SMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL11061336 0.85 TSHR (0.60) ALDH1A1TSHRTP53SMN1; SMN2NPC1
SCHEMBL10570096 0.85 TSHR (0.60) ALDH1A1TSHRTP53SMN1; SMN2NPC1
SCHEMBL29789030 0.85 RARB (0.69) RARBRARGACACBPTPN11ALDH1A1
SCHEMBL69572 0.85 RARB (0.69) RARBRARGACACBPTPN11ALDH1A1
Hydrochloric Acid SCHEMBL5666955 0.83 RARB (0.67) RARBRARGACACBPTPN11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US 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
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US 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 (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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 RARB 1644/4885RARG 2102/4885ACACB 3224/4885

“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.