SCHEMBL1100632

SCHEMBL1100632

[C-]#[N+]/C(C#N)=C1C(=C/C(C)C)/C(=O)c2ccccc2/1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HIF1A Q16665 1/20 0.34
DHODH Q02127 1/20 0.32
S100A4 P26447 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CCR6 P51684 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
HPGD P15428 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 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
SCHEMBL25759327 0.81 KMT2A (0.39) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL1104969 0.81 KMT2A (0.39) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL13292065 0.79 TDP2 (0.47) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9915569 0.76 TDP2 (0.36) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1101404 0.75 ESR1 (0.33) KMT2AMEN1ALDH1A1
SCHEMBL12888763 0.74 MEN1 (0.30) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL10062478 0.74 S100A4 (0.32) S100A4TDP2NSD2PLA2G1BHSP90AA1
SCHEMBL1100511 0.72 MAPT (0.54) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL20821301 0.71 MAPT (0.35) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL9915584 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11778896-B2 Visibly transparent, near-infrared-absorbing metal-complex photovoltaic devices UBIQUITOUS ENERGY, INC. (US) 2023-10-03 US disclosed
US-8152861-B2 Dark coloured azo dyes THE PROCTER & GAMBLE COMPANY (US) 2012-04-10 US disclosed
US-20110225742-A1 Dark Coloured Azo Dyes WELLA OPERATIONS US, LLC 2011-09-22 US disclosed
US-7977482-B2 Dark coloured azo dyes THE PROCTER & GAMBLE COMPANY (US) 2011-07-12 US disclosed
US-20090118510-A1 Dark coloured azo dyes WELLA OPERATIONS US, LLC 2009-05-07 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 (3 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-20090118510-A1 Dark coloured azo dyes KRT18, CYB5R3, CYBA KMT2A 1144/4885MEN1 3262/4885PKM 1165/4885
US-20110225742-A1 Dark Coloured Azo Dyes KRT18, CYB5R3, CYBA KMT2A 1144/4885MEN1 3262/4885PKM 1165/4885
US-11778896-B2 Visibly transparent, near-infrared-absorbing metal-complex photovoltaic devices CRY2, CRY1, PPOX KMT2A 1845/4885MEN1 505/4885PKM 1838/4885

“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.