SCHEMBL22100074

SCHEMBL22100074

C=CCCc1c(C(=O)OCC=C)ccc(NC(=O)c2ccc(N)c(OC(C)C)c2OCC=C)c1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP3A4 P08684 1/20 0.33
▸ EP300 Q09472 2/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 1/20 0.30

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 0.90 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCYP3A4EP300
SCHEMBL20764572 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL20764555 0.80 SMN1; SMN2 (0.44) ALDH1A1HSD17B10TSHRADRB2ADRB1
SCHEMBL15956250 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL20764503 0.75 EP300 (0.41) ALDH1A1CYP3A4EP300ADRB2ADRB1
SCHEMBL17368445 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRCYP3A4ADRB2
SCHEMBL31311112 0.73 MAPT (0.41) ALDH1A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL31311198 0.73 MAPT (0.48) ALDH1A1TSHRCYP3A4KDM4ETP53
SCHEMBL20786864 0.73 SMN1; SMN2 (0.45) ALDH1A1HSD17B10CYP3A4ADRB2ADRB1
SCHEMBL15956132 0.72 NPC1 (0.41) ALDH1A1HSD17B10TSHRCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — 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-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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