SCHEMBL21957647

SCHEMBL21957647

COC(=O)CCc1c(O)cc(OC)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SLC5A1 P13866 1/20 0.43
▸ SLC5A2 P31639 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ USP2 O75604 1/20 0.42

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
SCHEMBL10507635 0.78 POLB (0.74) NFKB1NFKB2RELAPOLBNPC1
SCHEMBL4017348 0.78 CA12 (0.48) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL5884605 0.78 KMT2A (0.51) NFKB1NFKB2RELAPOLBKDM4E
SCHEMBL5882994 0.78 PDE3B (0.45) PDE3BPDE3AKDM4EGAAKMT2A
SCHEMBL28757991 0.77 HPGD (0.48) NFKB1NFKB2RELAPOLBCYP3A4
SCHEMBL5990756 0.76 HSP90AB1 (0.47) CYP3A4HPGDPDE3BPDE3AGAA
SCHEMBL21957646 0.76 PDE3B (0.43) CYP3A4PDE3BPDE3AKDM4EGAA
SCHEMBL30996093 0.75 CYP3A4 (0.52) NFKB1NFKB2RELAPOLBCYP3A4
SCHEMBL5089943 0.74 KDM4E (0.44) NFKB1NFKB2RELAPOLBCYP3A4
SCHEMBL5882542 0.73 PDE3B (0.44) PDE3BPDE3AALDH1A1LMNABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111184866-B Combination treatment of bacterial infections 香港中文大学 2023-12-19 — — CN disclosed
US-11690810-B2 Combination treatment of bacterial infection THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-07-04 — — US disclosed
US-11690810-B2 Combination treatment of bacterial infection THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-07-04 — — US disclosed
US-11690810-B2 Combination treatment of bacterial infection THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-07-04 — — US disclosed
CN-111184866-A Combination therapy for bacterial infections 香港中文大学 2020-05-22 — — CN disclosed
US-20200155641-A1 COMBINATION TREATMENT OF BACTERIAL INFECTION THE CHINESE UNIVERSITY OF HONG KONG (CN) 2020-05-21 — — US disclosed
US-20200155641-A1 COMBINATION TREATMENT OF BACTERIAL INFECTION THE CHINESE UNIVERSITY OF HONG KONG (CN) 2020-05-21 — — US 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-20200155641-A1 COMBINATION TREATMENT OF BACTERIAL INFECTION PGC, NRDC, PYCARD NFKB1 219/4885NFKB2 392/4885RELA 16/4885
US-11690810-B2 Combination treatment of bacterial infection PGC, NRDC, PYCARD NFKB1 219/4885NFKB2 392/4885RELA 16/4885

“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.

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