SCHEMBL17453176

SCHEMBL17453176

COC(=O)c1ccc(C#CC=C[C@@H]2C[C@H]2COC(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.38
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32

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
SCHEMBL13831242 0.78 PTPN11 (0.41) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL3017579 0.76 PTPN11 (0.46) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL3017576 0.76 PTPN11 (0.46) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL13740539 0.75 PTPN11 (0.39) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL13738565 0.75 PTPN11 (0.39) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL13984692 0.72 PTPN11 (0.42) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL14715220 0.71 — —
SCHEMBL13245227 0.70 PTPN11 (0.48) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL3001813 0.70 PTPN11 (0.50) PTPN11MAPTALDH1A1CA1CA2
SCHEMBL3001807 0.70 PTPN11 (0.50) PTPN11MAPTALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS PTPN11 3775/4885MAPT 4489/4885ALDH1A1 1168/4885

“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.

Send feedback