SCHEMBL19812652

SCHEMBL19812652

NCCC([C]=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SHBG P04278 1/20 0.32
▸ DPP7 Q9UHL4 2/20 0.31
▸ DPP4 P27487 2/20 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
SCHEMBL19812674 0.83 EPHX1 (0.50) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL1335896 0.79 SHBG (0.41) EPHX1TP53KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6988843 0.76 SHBG (0.39) EPHX1SHBG
SCHEMBL7458138 0.75 SHBG (0.38) EPHX1SHBG
SCHEMBL12987447 0.74 SHBG (0.50) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL741065 0.74 SHBG (0.50) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL7463334 0.73 TSHR (0.38) EPHX1
SCHEMBL7457424 0.73 TSHR (0.38) EPHX1
SCHEMBL7457530 0.73 TSHR (0.38) EPHX1
SCHEMBL7452808 0.73 TSHR (0.38) EPHX1

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-20230340026-A1 COMPOUNDS NEW PHARMA LICENCE HOLDINGS LTD (MT) 2023-10-26 — — US disclosed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 — — US disclosed
US-20180030092-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2018-02-01 — — 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 (4 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 EPHX1 4404/4885TP53 3079/4885KDM4E 3352/4885
US-20230340026-A1 COMPOUNDS BCAT1, BCAT2, CCNT1 EPHX1 3764/4885TP53 1956/4885KDM4E 4030/4885
US-20180030092-A1 COMPOUNDS BCAT1, BCAT2, IL4I1 EPHX1 3597/4885TP53 1950/4885KDM4E 3533/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 EPHX1 4492/4885TP53 2947/4885KDM4E 3621/4885

“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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