SCHEMBL17813862

SCHEMBL17813862

COc1nnc(C)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ALOX15 P16050 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
POLQ O75417 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL16454221 0.84 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C19POLQ
SCHEMBL26465669 0.83 KDM4E (0.37) CA2CA1ALDH1A1CYP1A2CYP2C19
SCHEMBL17808316 0.79 CA1 (0.36) CA2CA1ALDH1A1CYP1A2CYP2C19
SCHEMBL13990719 0.78 CA2 (0.44) CA2CA1ALDH1A1CYP1A2CYP2C19
SCHEMBL18699198 0.75 CA1 (0.33) CA2CA1ALDH1A1CYP1A2CYP2C19
SCHEMBL25449418 0.73 CA2 (0.39) CA2CA1ALDH1A1CYP2C19PTGS2
SCHEMBL12157652 0.73 CYP1A2 (0.41) ALDH1A1CYP1A2CYP2C19HPGDPOLQ
SCHEMBL21719333 0.73 ALDH1A1 (0.36) CA2CA1ALDH1A1CYP1A2CYP2C19
SCHEMBL16302756 0.71 CA2 (0.34) CA2CA1ALDH1A1CYP1A2CYP2C19
SCHEMBL24226816 0.71 ALDH1A1 (0.39) CA2CA1ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 CA2 1458/4885CA1 1886/4885ALDH1A1 300/4885

“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.