SCHEMBL3830845

SCHEMBL3830845

CCCCCC(CC)OC(=O)c1ccccc1C(O)c1ccc(N(CC)CC)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 3/20 0.35
CYP3A4 P08684 2/20 0.33
CNR2 P34972 2/20 0.33
CA2 P00918 1/20 0.33
SLC37A4 O43826 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL3826214 0.86 ALDH1A1 (0.45) L3MBTL1ALDH1A1PRKCAPRKCDPRSS1
SCHEMBL3826986 0.83 TSHR (0.52) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL3830414 0.80 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL17288014 0.78 KMT2A (0.61) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL12799441 0.78 MEN1 (0.51) KMT2ASMN1; SMN2MEN1L3MBTL1ALDH1A1
SCHEMBL28030230 0.75 LMNA (0.58) L3MBTL1ALDH1A1KDM4EGAAPRKCA
SCHEMBL63237 0.75 LMNA (0.58) L3MBTL1ALDH1A1KDM4EGAAPRKCA
SCHEMBL913893 0.75 ALDH1A1 (0.61) L3MBTL1ALDH1A1KDM4EPOLBPRKCA
SCHEMBL17907462 0.74 LMNA (0.56) L3MBTL1ALDH1A1KDM4EGAAPOLB
SCHEMBL22684926 0.74 LMNA (0.56) L3MBTL1ALDH1A1KDM4EGAAPOLB

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
EP-2010294-B1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-12-02 EP claimed
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 US claimed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 US claimed
CN-101437579-B Antioxidant agent MERCK PATENT GMBH 2012-11-21 CN 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-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 KMT2A 2864/4885SMN1; SMN2 1726/4885MEN1 2805/4885

“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.