SCHEMBL21957646

SCHEMBL21957646

COCOc1cc(OC)cc(OCOC)c1CCC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ BACE1 P56817 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CAPN1 P07384 1/20 0.36

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
SCHEMBL26047491 0.92 PDE3B (0.42) PDE3BPDE3ABACE1KDM4EGAA
SCHEMBL28413351 0.86 POLB (0.44) KDM4EALDH1A1HSD17B10USP2CYP3A4
SCHEMBL21957647 0.76 NFKB1 (0.47) PDE3BPDE3ABACE1KDM4EGAA
SCHEMBL28614794 0.75 TNFRSF1A (0.36) BACE1MAPTCYP3A4
SCHEMBL26951403 0.75 PDE3B (0.45) PDE3BPDE3AKDM4EGAALMNA
SCHEMBL5882994 0.75 PDE3B (0.45) PDE3BPDE3ABACE1KDM4EGAA
SCHEMBL5882542 0.74 PDE3B (0.44) PDE3BPDE3ABACE1ALDH1A1LMNA
SCHEMBL23327124 0.73 CYP3A4 (0.60) KDM4ETP53KMT2AMAPTLMNA
SCHEMBL30545309 0.73 CYP3A4 (0.60) KDM4ETP53KMT2AMAPTLMNA
SCHEMBL28614793 0.72 CYP3A4 (0.35) KDM4ENPC1TP53RAB9AMAPT

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
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
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

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 PDE3B 1380/4885PDE3A 1296/4885BACE1 1487/4885
US-11690810-B2 Combination treatment of bacterial infection PGC, NRDC, PYCARD PDE3B 1380/4885PDE3A 1296/4885BACE1 1487/4885

“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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