SCHEMBL20734813

SCHEMBL20734813

COc1ccc(C[C@@H]2NC(=O)C=C2OCc2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR1 O14842 2/20 0.39
CYP2D6 P10635 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL20734875 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL20734824 0.91 KMT2A (0.43) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL20734825 0.91 KMT2A (0.43) ALDH1A1HTTSMN1; SMN2NPC1POLB
SCHEMBL24333180 0.89 HTT (0.41) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL20734910 0.86 MMP1 (0.48) HTTSMN1; SMN2NPC1POLBRAB9A
SCHEMBL20734861 0.85 FFAR1 (0.44) ALDH1A1MAPTHTTFFAR1KMT2A
SCHEMBL20734860 0.85 FFAR1 (0.44) ALDH1A1MAPTHTTFFAR1KMT2A
SCHEMBL20734938 0.83 SMN1; SMN2 (0.37) ALDH1A1HTTSMN1; SMN2POLBLMNA
SCHEMBL20735040 0.83 SMN1; SMN2 (0.37) ALDH1A1HTTSMN1; SMN2POLBLMNA
SCHEMBL20734814 0.83 HPGD (0.40) ALDH1A1MAPTHTTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332440-B2 4-oxo-alkylated tetramic acid compound, and preparation method thereof BEIJING JOEKAI BIOTECH. LLC (CN) 2022-05-17 US disclosed
US-11130733-B2 4-OXO-alkylated tetramic acid compound, preparation method and use thereof BEIJING JOEKAI BIOTECH. LLC (CN) 2021-09-28 US disclosed
US-20200361868-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF BEIJING JOEKAI BIOTECH. LLC (CN) 2020-11-19 US disclosed
US-20200181081-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, AND PREPARATION METHOD THEREOF BEIJING JOEKAI BIOTECH. LLC (CN) 2020-06-11 US disclosed
EP-3647306-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR Beijing Joekai Biotech. LLC (CN) 2020-05-06 EP disclosed
EP-3643311-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Joekai Biotech. LLC (CN) 2020-04-29 EP disclosed
WO-2019029273-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京卓凯生物技术有限公司 2019-02-14 WO disclosed
WO-2019029274-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR 北京卓凯生物技术有限公司 2019-02-14 WO 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 (4 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-11130733-B2 4-OXO-alkylated tetramic acid compound, preparation method and use thereof HTT, PARK7, PSEN1 ALDH1A1 1056/4885MAPT 78/4885HTT 1/4885
US-11332440-B2 4-oxo-alkylated tetramic acid compound, and preparation method thereof PSEN1, PSEN2, APP ALDH1A1 747/4885MAPT 34/4885HTT 110/4885
US-20200181081-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, AND PREPARATION METHOD THEREOF PSEN1, PSEN2, APP ALDH1A1 747/4885MAPT 34/4885HTT 110/4885
US-20200361868-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD AND USE THEREOF HTT, PARK7, PSEN1 ALDH1A1 1056/4885MAPT 78/4885HTT 1/4885

“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.