SCHEMBL22100277

SCHEMBL22100277

O=C(CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)nc1)NO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 1/20 0.48
▸ AVPR1A P37288 1/20 0.48
▸ HDAC1 Q13547 14/20 0.45
▸ HDAC2 Q92769 11/20 0.45
▸ HDAC6 Q9UBN7 7/20 0.45
▸ HDAC8 Q9BY41 7/20 0.43
▸ HDAC3 O15379 4/20 0.43
▸ HDAC7 Q8WUI4 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ PPARD Q03181 3/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ HPGDS O60760 1/20 0.41

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
SCHEMBL16148800 0.90 HDAC1 (0.55) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL16147569 0.86 ROCK1 (0.46) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL16147383 0.86 HDAC1 (0.47) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL16148197 0.85 HDAC1 (0.47) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL17671662 0.83 HDAC1 (0.51) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL17672181 0.83 HDAC1 (0.51) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL17671849 0.81 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL17672110 0.81 HDAC1 (0.52) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL16147566 0.81 HDAC1 (0.45) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL16147982 0.81 HDAC1 (0.46) HDAC1HDAC2HDAC6HDAC8HDAC3

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-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 — — US disclosed
US-20200190019-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 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-11420934-B2 PPAR agonists PPARG, PPARD, PPARA OXTR 4381/4885AVPR1A 3463/4885HDAC1 1137/4885
US-20200190019-A1 PPAR AGONISTS PPARG, PPARD, PPARA OXTR 4381/4885AVPR1A 3463/4885HDAC1 1137/4885

“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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