SCHEMBL5537879

SCHEMBL5537879

O=CCc1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
THRB P10828 1/20 0.39
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.33
TYMS P04818 1/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL28576559 0.87 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL1618749 0.79 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL15327502 0.76 CYP1A2 (0.47) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL31302320 0.76 CYP1A2 (0.44) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL5098468 0.76 CYP1A2 (0.44) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL720557 0.76 CYP1A2 (0.52) KMT2AMEN1ALDH1A1CYP1A2HPGD
Ethyne SCHEMBL27799323 0.76 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL20683224 0.75 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL20710915 0.75 CYP1A2 (0.43) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL22534072 0.75 CYP1A2 (0.43) KMT2AMEN1ALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070195576-A1 Organic compound having functional groups different in elimination reactivity at both terminals, organic thin film, organic device and method of producing the same SHARP KABUSHIKI KAISHA (JP) 2007-08-23 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-20070195576-A1 Organic compound having functional groups different in elimination reactivity at both terminals, organic thin film, organic device and method of producing the same EPCAM, MAOA, AOX1 KMT2A 540/4885MEN1 2444/4885ALDH1A1 445/4885

“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.