SCHEMBL2000959

SCHEMBL2000959

O=C(Cn1nc(C(F)F)cc1C(F)F)N1CC[CH]CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.35
GRIN2B Q13224 1/20 0.35
CCR1 P32246 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL30404348 0.87 TSHR (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38659345 0.80 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16340298 0.78 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16339917 0.77 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17746779 0.75 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29908189 0.75 DRD4 (0.41) ALDH1A1GAAHPGD
SCHEMBL12182499 0.74 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9969984 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16340294 0.74 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL440227 0.73 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BASF SE (DE) 2021-08-03 US claimed
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BASF SE (DE) 2018-11-08 US claimed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 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-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BAX, FASN, BAK1 ALDH1A1 4217/4885CYP1A2 429/4885CYP3A4 888/4885
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BAX, FASN, BAK1 ALDH1A1 4217/4885CYP1A2 429/4885CYP3A4 888/4885

“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.