SCHEMBL972695

SCHEMBL972695

CC1(C)C[CH]c2ccoc2C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17629453 0.64 CES1 (0.36) ALDH1A1
SCHEMBL9623158 0.63 TDP1 (0.51) ALDH1A1
SCHEMBL3660300 0.63
SCHEMBL13770918 0.62 ALDH1A1 (0.45) PTPN1ALDH1A1
SCHEMBL3628864 0.60
SCHEMBL6444424 0.55
SCHEMBL4448067 0.55
SCHEMBL6434544 0.55 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18726373 0.54 HSP90AA1 (0.31)
SCHEMBL14591132 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524896-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
EP-2500340-A1 2-Cyanophenyl Sulfonamide Derivatives Useful as Pesticides Syngenta Participations AG. (CH) 2012-09-19 EP disclosed
US-20110009261-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-13 US disclosed
EP-2265579-A2 2-CYANOBENZENSULFONAMIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2010-12-29 EP disclosed
US-20100311582-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
EP-2231632-A2 2-CYANOPHENYL SULFONAMIDE DERIVATIVES USEFUL AS PESTICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009109539-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-09-11 WO disclosed
WO-2009092590-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-30 WO disclosed
WO-2009087085-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 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 (2 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-20110009261-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CYCS PTPN1 1980/4885ALDH1A1 3381/4885
US-20100311582-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CCNY PTPN1 914/4885ALDH1A1 3581/4885

“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.