SCHEMBL21065263

SCHEMBL21065263

CCOC(=O)C1CC(c2ccc(OC)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.46
NAAA Q02083 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 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
SCHEMBL16708938 1.00 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL640932 0.86 GAA (0.46) ALDH1A1TSHRMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL641426 0.85 GAA (0.46) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL16708942 0.84 ESR2 (0.52) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL21065269 0.84 ESR2 (0.52) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL2722626 0.84 NAAA (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANAAA
SCHEMBL2722339 0.84 NAAA (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANAAA
SCHEMBL2722341 0.84 NAAA (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ANAAA
SCHEMBL9195822 0.83 MEN1 (0.51) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9195825 0.83 MEN1 (0.51) ALDH1A1TSHRMEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689357-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof NORTHEASTERN UNIVERSITY (US) 2020-06-23 US disclosed
US-20190345132-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Use Thereof NORTHEASTERN UNIVERSITY 2019-11-14 US disclosed
WO-2019217977-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND USE THEREOF NORTHEASTERN UNIVERSITY (US) 2019-11-14 WO disclosed
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP 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-10689357-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and use thereof NAAA, NAT1, ACHE ALDH1A1 848/4885TSHR 3856/4885MEN1 3960/4885
US-20190345132-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Use Thereof NAAA, NAT1, ACHE ALDH1A1 848/4885TSHR 3856/4885MEN1 3960/4885

“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.