SCHEMBL4314180

SCHEMBL4314180

N#CC=C1C=C(C2CCCCC2)C(=O)C(C2CCCCC2)=C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ PTPRF P10586 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL4561829 0.98 MAOA (0.39) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL15893576 0.69 PTPN1 (0.36) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL11678375 0.66 KDM4E (0.38) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL17969772 0.64 PTPN1 (0.41) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL10781942 0.64 MAOA (0.64) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL17969769 0.62 PTPN1 (0.42) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL30770716 0.62 MAOA (0.50) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL19386509 0.62 PTPN1 (0.46) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL30770641 0.62 MAOA (0.50) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL17969800 0.60 PTPN1 (0.65) PTPN1PTPRCPTPRFCDC25BMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247593-B2 Process for preparing substituted 7-cyano quinone methides NALCO COMPANY (US) 2012-08-21 — — US disclosed
WO-2009140145-A1 PROCESS FOR PREPARING SUBSTITUTED 7-CYANO QUINONE METHIDES NALCO COMPANY (US) 2009-11-19 — — WO disclosed
US-20090287013-A1 PROCESS FOR PREPARING SUBSTITUTED 7-CYANO QUINONE METHIDES ECOLAB USA INC. 2009-11-19 — — 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-20090287013-A1 PROCESS FOR PREPARING SUBSTITUTED 7-CYANO QUINONE METHIDES SQOR, COMT, PAH PTPN1 895/4885PTPRC 701/4885PTPRF 1320/4885

“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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