SCHEMBL6820430

SCHEMBL6820430

CN(Cc1ccccc1)c1ccc(C(=O)OC=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
LIMK2 P53671 1/20 0.38
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Formic Acid SCHEMBL6820433 0.84 ACHE (0.47) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL13338024 0.70 CYP19A1 (0.44) ACHELMNAALDH1A1KDM4ETDP1
SCHEMBL4426149 0.70 MAT2A (0.44) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL16875663 0.69 ALDH1A1 (0.56) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL3425368 0.68 ALDH1A1 (0.39) ACHEMEN1KMT2ALMNAALDH1A1
SCHEMBL1116007 0.68 RXRA (0.50) ACHEMEN1KMT2ALMNAALDH1A1
SCHEMBL3423087 0.68 CRHBP (0.57) LMNAALDH1A1
SCHEMBL2853654 0.68 TP53 (0.49) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL6823718 0.67 NTRK1 (0.40) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL15550514 0.67 ALDH1A1 (0.53) ACHEMEN1KMT2AALDH1A1KDM4E

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-20040259878-A1 Fluoromethotrexates and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-12-23 US disclosed
WO-2004071463-A2 FLUOROMETHOTREXATES AND USES THEREFOR SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2004-08-26 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 (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-20040259878-A1 Fluoromethotrexates and uses therefor MTX1, DHFR, SLC46A1 ACHE 4842/4885MEN1 242/4885KMT2A 1735/4885

“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.