SCHEMBL20764572

SCHEMBL20764572

C=CCOC(=O)c1ccc(N)c(OC(C)C)c1OCC=C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP3A4 P08684 1/20 0.47
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34

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
SCHEMBL20764511 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL20764461 0.88 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL15956197 0.87 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL20764555 0.85 SMN1; SMN2 (0.44) ALDH1A1HSD17B10TSHRADRB2ADRB1
SCHEMBL17368442 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL22100074 0.81 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL20764434 0.81 CYP3A4 (0.43) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL8787290 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL15956250 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL31311198 0.77 MAPT (0.48) ALDH1A1TSHRCYP3A4KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 — — CN disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 — — CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 ALDH1A1 2016/4885HSD17B10 1012/4885TSHR 1997/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 ALDH1A1 2382/4885HSD17B10 1026/4885TSHR 2455/4885

“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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