SCHEMBL23523217

SCHEMBL23523217

[CH2]c1cccc(OCC(=O)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
FAAH O00519 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
PDK2 Q15119 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4076916 0.88 LMNA (0.62) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31556370 0.83 LMNA (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7293057 0.83 LMNA (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7385035 0.83 PSEN1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27284973 0.82 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30946569 0.82 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9911067 0.81 GAA (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11351362 0.81 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7044556 0.81 CYP3A4 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8899422 0.81 LMNA (0.64) ALDH1A1KMT2AMEN1LMNAHSD17B10

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-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
US-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-06-24 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 (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-20210186021-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DAZAP1, DDC ALDH1A1 991/4885CYP1A2 435/4885CYP3A4 2415/4885
US-11992012-B2 Diaminotriazine compounds DDT, DAZAP1, DDC ALDH1A1 991/4885CYP1A2 435/4885CYP3A4 2415/4885

“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.