SCHEMBL17280419

SCHEMBL17280419

COCOc1ccc(C)c(O)c1C1(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
PDE4D Q08499 2/20 0.33
BACE1 P56817 2/20 0.32
CLCN2 P51788 1/20 0.32
XDH P47989 1/20 0.32
EGFR P00533 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
RARG P13631 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL18202144 0.81 PTPN1 (0.43) PTPN1BACE1CLCN2EGFRMEN1
SCHEMBL9901735 0.78 PTPN1 (0.37) PTPN1PDE4D
SCHEMBL15306021 0.76 PTPN1 (0.41) PTPN1PDE4DCLCN2EGFRMEN1
SCHEMBL20819649 0.73 PTPN1 (0.35) PTPN1AKR1B10AKR1C4AKR1C3AKR1C2
SCHEMBL24445935 0.73 PTPN1 (0.35) PTPN1
SCHEMBL9900845 0.73 PTPN1 (0.47) PTPN1
SCHEMBL31690574 0.73 PTPN1 (0.47) PTPN1
SCHEMBL9901527 0.72 PTGS2 (0.34) PTPN1BACE1XDHEGFRMEN1
SCHEMBL20790295 0.71 LMNA (0.40) AKR1B10AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9900846 0.70 PTPN1 (0.36) PTPN1EGFRMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422272-B2 Compounds AUTIFONY THERAPEUTICS LIMITED (GB) 2016-08-23 US disclosed
US-9422272-B2 Compounds AUTIFONY THERAPEUTICS LIMITED (GB) 2016-08-23 US disclosed
US-20150336936-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2015-11-26 US disclosed
US-20150336936-A1 NOVEL COMPOUNDS AUTIFONY SRL (IT) 2015-11-26 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-20150336936-A1 NOVEL COMPOUNDS KCNN3, KCNN2, KCNN1 PTPN1 3456/4885AKR1B10 1174/4885AKR1C4 1957/4885

“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.