SCHEMBL19822812

SCHEMBL19822812

CC(C)CCOC(=O)CCC(=O)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
CA1 P00915 3/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK1 P28482 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
DGKA P23743 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL333015 0.89 ADRA2A (0.50) LMNACYP19A1TDP1ADRA2AADRA1A
SCHEMBL4292777 0.83 CYP19A1 (0.49) LMNACYP19A1TDP1ADRA2AADRA1A
SCHEMBL11513491 0.83 LMNA (0.39) LMNACYP19A1TDP1MAPTCA1
SCHEMBL27603905 0.82 CYP1A2 (0.45) LMNACYP19A1TDP1ADRA2AADRA1A
SCHEMBL13575623 0.82 CYP19A1 (0.45) LMNACYP19A1TDP1ADRA2AADRA1A
SCHEMBL527566 0.82 CYP19A1 (0.45) LMNACYP19A1TDP1ADRA2AADRA1A
SCHEMBL2343748 0.82 LMNA (0.57) LMNAADRA2AADRA1AMAPTBLM
SCHEMBL14672499 0.81 DGKA (0.48) CYP19A1TDP1ADRA2AADRA1AMAPT
SCHEMBL249563 0.81 DGKA (0.54) LMNACYP19A1TDP1ADRA2AADRA1A
SCHEMBL131802 0.81 LMNA (0.54) LMNATDP1MAPTCA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030342-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS NANTES UNIVERSITE (FR) 2018-02-01 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-20180030342-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS TYR, PNMT, INMT LMNA 1981/4885CYP19A1 3742/4885TDP1 613/4885

“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.