SCHEMBL24328928

SCHEMBL24328928

COc1cccc2c(C[C@H](O)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
SMN1; SMN2 Q16637 2/20 0.58
HTR2A P28223 1/20 0.57
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HTR6 P50406 1/20 0.54
ADRB3 P13945 9/20 0.53
ADRB1 P08588 7/20 0.53
ADRB2 P07550 5/20 0.53
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

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
SCHEMBL28417399 1.00 MTNR1A (0.58) MTNR1AMTNR1BSMN1; SMN2HTR2AKDM4E
SCHEMBL24328897 0.86 MTNR1A (0.58) MTNR1AMTNR1BSMN1; SMN2HTR2AKDM4E
SCHEMBL29982303 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL1461102 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
Benzene SCHEMBL28112748 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL18029023 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL838982 0.85 KDM4E (0.59) MTNR1AMTNR1BHTR2AKDM4EALDH1A1
SCHEMBL24328921 0.83 SMN1; SMN2 (0.61) SMN1; SMN2HTR2AKDM4EPOLBMAPT
SCHEMBL28417401 0.83 SMN1; SMN2 (0.61) SMN1; SMN2HTR2AKDM4EPOLBMAPT
SCHEMBL21808835 0.82 MTNR1A (0.62) MTNR1AMTNR1BSMN1; SMN2HTR2AKDM4E

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 1790/4885SMN1; SMN2 3812/4885

“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.