SCHEMBL24328897

SCHEMBL24328897

COc1cccc2c(C[C@H](OC)C(=O)O)c[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
HTR2A P28223 1/20 0.57
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
HTR6 P50406 1/20 0.54
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ADRB3 P13945 6/20 0.47
ADRB1 P08588 5/20 0.47
ADRB2 P07550 4/20 0.47

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
SCHEMBL24328928 0.86 MTNR1A (0.58) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL28417399 0.86 MTNR1A (0.58) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL24328895 0.86 SOS2 (0.58) MTNR1AMTNR1BHTR2AKDM4ESMN1; SMN2
SCHEMBL838982 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL1461102 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL18029023 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL24328907 0.85 NR4A2 (0.52) MTNR1AMTNR1BHTR2AKDM4ESMN1; SMN2
SCHEMBL24301112 0.85 GPR84 (0.54) MTNR1AMTNR1BHTR2AKDM4EPOLB
SCHEMBL29982303 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
Benzene SCHEMBL28112748 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
WO-2022078416-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 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 (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-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS MTNR1A 2266/4885MTNR1B 1790/4885HTR2A 3583/4885

“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.