SCHEMBL20156691

SCHEMBL20156691

CCCCCCC(C)(C)Nc1cc(OC)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
ACAT1 P24752 1/20 0.45
SOAT1 P35610 1/20 0.45
KMT2A Q03164 4/20 0.42
GAA P10253 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21790489 0.88 KMT2A (0.46) TSHRLMNAHTTSMN1; SMN2MAPT
SCHEMBL12777750 0.75 KMT2A (0.54) TSHRLMNASMN1; SMN2MAPTTP53
SCHEMBL14141593 0.74 LMNA (0.55) TSHRLMNAHTTSMN1; SMN2MAPT
SCHEMBL9554772 0.74 CNR2 (0.46) TSHRLMNAHTTSMN1; SMN2MAPT
SCHEMBL8962083 0.71 LMNA (0.58) TSHRLMNAHTTSMN1; SMN2MAPT
SCHEMBL8368156 0.71 GAA (0.76) LMNASMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL17817424 0.71 GAA (0.76) LMNASMN1; SMN2MAPTKDM4ECYP3A4
SCHEMBL21790806 0.70 KIF11 (0.37) LMNASMN1; SMN2MAPTTP53KMT2A
SCHEMBL14338648 0.69 KMT2A (0.61) HTTSMN1; SMN2MAPTTP53KMT2A
SCHEMBL14338647 0.69 KMT2A (0.61) HTTSMN1; SMN2MAPTTP53KMT2A

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-10442817-B2 Inhibitors of RAD52 recombination protein and methods using same DREXEL UNIVERSITY (US) 2019-10-15 US disclosed
US-20180134727-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same DREXEL UNIVERSITY (US) 2018-05-17 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-20180134727-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 TSHR 4465/4885LMNA 2462/4885HTT 2986/4885
US-10442817-B2 Inhibitors of RAD52 recombination protein and methods using same RAD52, RAD50, MRE11 TSHR 4465/4885LMNA 2462/4885HTT 2986/4885

“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.