SCHEMBL1932032

SCHEMBL1932032

CCOc1ccc(C#Cc2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NQO1 P15559 1/20 0.39
DHFR P00374 1/20 0.38
TNK2 Q07912 1/20 0.38

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
SCHEMBL20442498 0.93 MEN1 (0.46) MEN1KMT2AHPGDSMN1; SMN2NQO1
SCHEMBL18284504 0.86 MEN1 (0.39) ACACBMEN1KMT2ADHFRTNK2
SCHEMBL21400656 0.86 APP (0.44) ACACBMEN1KMT2AHPGD
SCHEMBL21400657 0.83 APP (0.44) ACACBMEN1KMT2ADHFRTNK2
SCHEMBL1930808 0.83 MEN1 (0.47) MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL1931849 0.82 MEN1 (0.45) ACACBMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL673176 0.82 TNK2 (0.38) ACACBMEN1KMT2ADHFRTNK2
SCHEMBL674017 0.81 ACACB (0.38) ACACBMEN1KMT2ADHFRTNK2
SCHEMBL26842987 0.81 MEN1 (0.36) ACACBMEN1KMT2ADHFRTNK2
SCHEMBL7362854 0.81 HRH3 (0.42) ACACBMEN1KMT2ADHFRTNK2

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-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MEMPILE INC. (US) 2011-06-09 US disclosed
US-20090161516-A1 METHACRYLATE-BOUND PHOTOISMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MEMPILE INC. (US) 2009-06-25 US disclosed
EP-1888511-A1 A METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES Mempile Inc. (US) 2008-02-20 EP disclosed
WO-2006117791-A1 A METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MEMPILE INC. (US) 2006-11-09 WO 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-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MMAB, TET3, KDM2B ACACB 1548/4885MEN1 457/4885KMT2A 128/4885
US-20090161516-A1 METHACRYLATE-BOUND PHOTOISMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS AND OF ITS INTERMEDIATES MMAB, HMBS, KDM2B ACACB 846/4885MEN1 444/4885KMT2A 199/4885

“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.