SCHEMBL13738717

SCHEMBL13738717

O=C(O)c1ccc(C#CC#CC2CC2CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.39
▸ RARG P13631 5/20 0.39
▸ PTPN11 Q06124 1/20 0.37
▸ RARA P10276 2/20 0.36
▸ CYP26A1 O43174 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CRABP2 P29373 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ SRD5A2 P31213 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL17451854 1.00 RARB (0.39) RARBRARGPTPN11RARACYP26A1
SCHEMBL31303689 1.00 RARB (0.39) RARBRARGPTPN11RARACYP26A1
SCHEMBL13738163 1.00 RARB (0.39) RARBRARGPTPN11RARACYP26A1
SCHEMBL31303687 1.00 RARB (0.39) RARBRARGPTPN11RARACYP26A1
SCHEMBL13831258 1.00 RARB (0.39) RARBRARGPTPN11RARACYP26A1
SCHEMBL13737615 1.00 RARB (0.39) RARBRARGPTPN11RARACYP26A1
SCHEMBL13831071 0.90 RARB (0.41) RARBRARGPTPN11RARACYP26A1
SCHEMBL16843077 0.87 RARB (0.38) RARBRARGPTPN11RARACYP26A1
SCHEMBL17435616 0.87 ACACB (0.37) CYP3A4ACACBALDH1A1
SCHEMBL16921533 0.87 RARB (0.41) RARBRARGPTPN11RARACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 — — US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 — — US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 — — US disclosed
EP-2638006-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Achaogen, Inc. (US) 2013-09-18 — — EP disclosed
WO-2012154204-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS ACHAOGEN, INC. (US) 2012-11-15 — — 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 (3 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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS RARB 1720/4885RARG 2107/4885PTPN11 3775/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS RARB 1720/4885RARG 2107/4885PTPN11 3775/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS RARB 1720/4885RARG 2107/4885PTPN11 3775/4885

“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.

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