SCHEMBL10272880

SCHEMBL10272880

C=C(CCO/N=C(\C)c1cccc(C)n1)c1cccc(C2(C)OCCO2)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.33
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32
HSP90AA1 P07900 1/20 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
SCHEMBL16163766 1.00 HKDC1 (0.33) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL878651 0.88 HSP90AA1 (0.34) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL883004 0.80 HSP90AA1 (0.37) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL16164576 0.80 DUSP3 (0.31) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL882701 0.80 DUSP3 (0.31) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL883002 0.79 P2RX7 (0.39) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL882634 0.78 HSP90AA1 (0.33) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL16164158 0.78 HSP90AA1 (0.33) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL874223 0.75 HSP90AA1 (0.33) HKDC1DUSP3PTPN11HSP90AA1
SCHEMBL875035 0.73 DUSP3 (0.32) HKDC1DUSP3PTPN11HSP90AA1

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-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 HKDC1 2262/4885DUSP3 1127/4885PTPN11 1399/4885

“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.