SCHEMBL14723717

SCHEMBL14723717

Cc1cc2c(cc1O)oc1cc(CCCCN=[N+]=[N-])oc(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.39
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
NT5E P21589 2/20 0.35
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CLK2 P49760 1/20 0.33
ELANE P08246 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
SMPD1 P17405 1/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL14723716 0.99 MCL1 (0.38) MCL1KDM4EMEN1KMT2AMAPT
SCHEMBL14723724 0.90 MCL1 (0.46) MCL1KDM4EMEN1KMT2AMAPT
SCHEMBL10135394 0.85 ELANE (0.46) MAPTSMN1; SMN2ELANEALDH1A1GAA
SCHEMBL10135395 0.84 ELANE (0.48) KDM4EMAPTSMN1; SMN2ELANEALDH1A1
SCHEMBL10135414 0.84 NT5E (0.37) MCL1KDM4EMEN1KMT2AMAPT
SCHEMBL10135393 0.83 ELANE (0.37) MCL1KDM4EMEN1KMT2AMAPT
SCHEMBL13018972 0.79 ELANE (0.48) MAPTSMN1; SMN2ELANEALDH1A1GAA
SCHEMBL10135398 0.78 ELANE (0.43) MAPTSMN1; SMN2ELANEALDH1A1GAA
SCHEMBL14723720 0.78 ELANE (0.37) MCL1KDM4EMEN1KMT2AMAPT
SCHEMBL13063348 0.77 NT5E (0.41) MCL1KDM4EMEN1KMT2AMAPT

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-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US disclosed
US-8383088-B2 Coumestan-like antioxidants and UV absorbants BASF SE (DE) 2013-02-26 US disclosed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 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-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 MCL1 730/4885KDM4E 715/4885MEN1 3694/4885

“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.