SCHEMBL22749197

SCHEMBL22749197

CCCCNc1cnn(CCOC(C)=O)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ THPO P40225 1/20 0.40

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
SCHEMBL22749223 0.81 CNR2 (0.48) ALDH1A1CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL22749207 0.77 CNR2 (0.47) ALDH1A1LMNASMN1; SMN2CYP2C19CYP1A2
SCHEMBL22749220 0.74 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL29539179 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL22749175 0.64 CNR2 (0.47) ALDH1A1CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL19893070 0.64 KDM4E (0.33) ALDH1A1SMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL15999050 0.64 CYP11B2 (0.45) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL12723401 0.63 RIPK1 (0.47) ALDH1A1CYP3A4MAPK1SMN1; SMN2CYP2C19
SCHEMBL29219186 0.63 L3MBTL1 (0.45) ALDH1A1CYP3A4MAPK1CYP1A2MEN1
SCHEMBL30908549 0.61 CNR2 (0.59) ALDH1A1LMNACYP2C19CYP1A2MEN1

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
US-12358919-B2 Antibacterial compounds UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2025-07-15 — — US disclosed
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2022-07-28 — — US disclosed
EP-3980418-A1 ANTIBACTERIAL COMPOUNDS Universita' Degli Studi di Siena (IT) 2022-04-13 — — EP disclosed
WO-2020245759-A1 ANTIBACTERIAL COMPOUNDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2020-12-10 — — 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 (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-12358919-B2 Antibacterial compounds ABCB11, CFTR, MRPL21 ALDH1A1 931/4885CYP3A4 1019/4885MAPK1 2623/4885
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS ABCB11, CFTR, MRPL21 ALDH1A1 931/4885CYP3A4 1019/4885MAPK1 2623/4885

“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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