SCHEMBL20816014

SCHEMBL20816014

CCC(O)c1cccc(OCOCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.45
MAOB P27338 2/20 0.43
ALOX5 P09917 2/20 0.43
BCHE P06276 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL20816012 1.00 LMNA (0.47) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL20816018 0.89 KMT2A (0.57) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL4596162 0.89 KMT2A (0.57) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL29818935 0.88 LMNA (0.46) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL29818894 0.87 LMNA (0.45) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL1548251 0.80 AOC3 (0.48) LMNAMAPK1TSHRTP53CYP1A2
SCHEMBL4568888 0.78 KMT2A (0.47) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL4568931 0.78 KMT2A (0.54) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL6055172 0.78 LMNA (0.52) LMNASMN1; SMN2KMT2AMAPK1HPGD
SCHEMBL4568892 0.77 KMT2A (0.48) LMNASMN1; SMN2KMT2AMAPK1HPGD

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-10565015-B2 Spiroketal-based C2-symmetric scaffold for asymmetric catalysis THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-02-18 US disclosed
US-20190084995-A1 Spiroketal-Based C2-Symmetric Scaffold For Asymmetric Catalysis THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-03-21 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-10565015-B2 Spiroketal-based C2-symmetric scaffold for asymmetric catalysis PKD2, OPA1, PKD1 LMNA 2772/4885SMN1; SMN2 2336/4885KMT2A 3015/4885
US-20190084995-A1 Spiroketal-Based C2-Symmetric Scaffold For Asymmetric Catalysis PKD2, OPA1, PKD1 LMNA 2772/4885SMN1; SMN2 2336/4885KMT2A 3015/4885

“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.