SCHEMBL22975403

SCHEMBL22975403

CCOC(=O)/C1=C/CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
CTSK P43235 1/20 0.46
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL11805519 1.00 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL6058455 1.00 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL22324339 1.00 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL11805525 1.00 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL11805533 1.00 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL6049107 0.98 HDAC4 (0.48) HDAC4HDAC2HDAC8HDAC6CTSK
Ammonia Solution, Strong SCHEMBL27681740 0.96 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL340678 0.92 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL15522251 0.86 ALDH1A1 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL9443741 0.85 TSHR (0.46) HDAC4HDAC2HDAC8HDAC6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11426339-B2 Organic compounds GIVAUDAN SA (CH) 2022-08-30 US disclosed
US-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS NATIONAL SCIENCE FOUNDATION 2022-06-30 US disclosed
EP-3793514-B1 FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2022-04-20 EP disclosed
EP-3793514-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2021-03-24 EP disclosed
US-20210045985-A1 ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2021-02-18 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 (3 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-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS DHPS, PCBP1, PNKP HDAC4 1879/4885HDAC2 2908/4885HDAC8 2541/4885
US-11426339-B2 Organic compounds OR51E2, OR10J3, ELOC HDAC4 2228/4885HDAC2 1715/4885HDAC8 3506/4885
US-20210045985-A1 ORGANIC COMPOUNDS OR51E2, OR10J3, ELOC HDAC4 2228/4885HDAC2 1715/4885HDAC8 3506/4885

“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.