SCHEMBL124964

SCHEMBL124964

[2H]B=C(C#N)C(=C(C#N)C#N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL14281289 0.75 CES2 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL21457582 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL12715526 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL12106077 0.71 CES2 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL124653 0.69 ALDH1A1 (0.40) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL13908457 0.67 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL3094764 0.66 EGFR (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL134312 0.66 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL61242 0.65 MEN1 (0.68) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL9656417 0.63 POLB (0.62) ALDH1A1MEN1KMT2APOLBLMNA

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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 ALDH1A1 371/4885MEN1 4480/4885KMT2A 3041/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS ALDH1A1 378/4885MEN1 4473/4885KMT2A 2961/4885

“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.