SCHEMBL18805580

SCHEMBL18805580

O=C(O)CCOC(=O)CCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.68
▸ HDAC3 O15379 3/20 0.67
▸ HDAC1 Q13547 3/20 0.67
▸ HDAC2 Q92769 3/20 0.67
▸ HDAC8 Q9BY41 3/20 0.67
▸ HDAC6 Q9UBN7 3/20 0.67
▸ HDAC5 Q9UQL6 3/20 0.67
▸ HDAC4 P56524 2/20 0.67
▸ HDAC7 Q8WUI4 2/20 0.67
▸ HDAC10 Q969S8 2/20 0.67
▸ HDAC11 Q96DB2 2/20 0.67
▸ HDAC9 Q9UKV0 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.67
▸ FFAR1 O14842 4/20 0.59
▸ MAPT P10636 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ KEAP1 Q14145 1/20 0.55

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
SCHEMBL5692233 0.92 SMN1; SMN2 (0.70) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL14219228 0.89 TDP1 (0.72) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL12446326 0.89 TDP1 (0.72) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL31657266 0.89 TDP1 (0.72) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL19643833 0.88 TDP1 (0.70) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6022193 0.86 TDP1 (0.68) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL9574171 0.86 TDP1 (0.68) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL4850239 0.86 TDP1 (0.68) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL13997917 0.86 TDP1 (0.72) TDP1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1788501 0.85 MAPT (0.72) TDP1HDAC3HDAC1HDAC2HDAC8

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-20170119899-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PEROXISOMAL DISORDERS AND LEUKODYSTROPHIES THE JOHNS HOPKINS UNIVERSITY 2017-05-04 — — US disclosed
US-20170119899-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PEROXISOMAL DISORDERS AND LEUKODYSTROPHIES THE JOHNS HOPKINS UNIVERSITY 2017-05-04 — — 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 (1 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-20170119899-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PEROXISOMAL DISORDERS AND LEUKODYSTROPHIES CLN6, PEX3, GBA1 TDP1 504/4885HDAC3 1371/4885HDAC1 1991/4885

“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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