SCHEMBL16705993

SCHEMBL16705993

Cc1ccc(/C=C/c2ccc(C=C(C#N)C#N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 4/20 0.68
NPSR1 Q6W5P4 3/20 0.68
LMNA P02545 3/20 0.68
POLB P06746 1/20 0.68
THRB P10828 1/20 0.59
CISD1 Q9NZ45 1/20 0.59
EGFR P00533 6/20 0.57
CYP3A4 P08684 3/20 0.56
HPGD P15428 3/20 0.56
TSHR P16473 3/20 0.56
NFKB1 P19838 3/20 0.56
BLM P54132 3/20 0.56
PMP22 Q01453 3/20 0.56
CYP1A2 P05177 2/20 0.56
APEX1 P27695 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.48

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
SCHEMBL3369467 0.94 KMT2A (0.77) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17466932 0.82 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19469440 0.82 KMT2A (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17466937 0.82 KMT2A (0.71) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL12972506 0.80 KMT2A (0.68) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6003482 0.79 MAPT (0.89) MAPTMEN1KMT2AALDH1A1KDM4E
Benzoic Acid SCHEMBL28633844 0.78 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17466936 0.76 MAPT (0.85) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13908793 0.75 GABRA1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL12755365 0.75 GABRA1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9755155-B2 Organic compounds containing squaric acid or croconic acid moieties for application in electronic devices SONY CORPORATION (JP) 2017-09-05 US disclosed
US-9755155-B2 Organic compounds containing squaric acid or croconic acid moieties for application in electronic devices SONY CORPORATION (JP) 2017-09-05 US disclosed
US-20150133678-A1 ORGANIC COMPOUNDS CONTAINING SQUARIC ACID OR CROCONIC ACID MOIETIES FOR APPLICATION IN ELECTRONIC DEVICES SONY CORPORATION (JP) 2015-05-14 US disclosed
US-20150133678-A1 ORGANIC COMPOUNDS CONTAINING SQUARIC ACID OR CROCONIC ACID MOIETIES FOR APPLICATION IN ELECTRONIC DEVICES SONY CORPORATION (JP) 2015-05-14 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-20150133678-A1 ORGANIC COMPOUNDS CONTAINING SQUARIC ACID OR CROCONIC ACID MOIETIES FOR APPLICATION IN ELECTRONIC DEVICES SQLE, ACSL1, ACSL3 MAPT 4255/4885MEN1 4310/4885KMT2A 3250/4885

“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.