SCHEMBL3204560

SCHEMBL3204560

C=C(C)C(=O)OCCOCCOCCOC(=O)Nc1cccc(SC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 4/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
GRM4 Q14833 1/20 0.44

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
SCHEMBL24434320 0.96 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL2784100 0.84 SMN1; SMN2 (0.49) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL3216214 0.84 MEN1 (0.49) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL29638347 0.83 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL23391666 0.83 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL21695751 0.81 MEN1 (0.57) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL2783548 0.80 MEN1 (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL172243 0.80 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL29410992 0.80 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL2034715 0.79 HPGD (0.51) MEN1KMT2AMAPTCYP1A2SMN1; SMN2

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-8222314-B2 Phenyl isocyanate-based urethane acrylates, processes for producing and methods of using the same BAYER MATERIALSCIENCE AG (DE) 2012-07-17 US disclosed
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME BAYER MATERIALSCIENCE AG (DE) 2010-02-11 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-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME GRHPR, CBR1, C1S MEN1 1522/4885KMT2A 3917/4885MAPT 3373/4885

“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.