SCHEMBL16840488

SCHEMBL16840488

CCC(O)C#CC#Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
MAPT P10636 4/20 0.44
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
RAB9A P51151 2/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL16820808 0.89 PTPN11 (0.46) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL16840487 0.89 PTPN11 (0.46) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL16820845 0.89 PTPN11 (0.46) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL3013586 0.84 PTPN11 (0.52) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL10412465 0.83 PTPN11 (0.60) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL17898139 0.82 PTPN11 (0.50) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL16821003 0.79 ADRB2 (0.39) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL3019123 0.79 PTPN11 (0.50) PTPN11MAPTTSHRTDP1HPGD
SCHEMBL16840486 0.77 L3MBTL1 (0.37) MAPTALDH1A1RAB9AGAA
SCHEMBL404435 0.77 TSHR (0.62) PTPN11MAPTTSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 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-20150175530-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS PTPN11 3775/4885MAPT 4489/4885TSHR 4007/4885

“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.