SCHEMBL18922452

SCHEMBL18922452

CNC(=O)c1ccccc1SCCCCCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.47
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 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
SCHEMBL17052736 0.86 HSD17B10 (0.48) PTGS2TDP1ALDH1A1HPGDPOLB
SCHEMBL17045878 0.80 MEN1 (0.53) HDAC1HDAC2TDP1
SCHEMBL31734065 0.80 MEN1 (0.53) HDAC1HDAC2TDP1
SCHEMBL5121171 0.80 ALDH1A1 (0.48) TDP1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL18922450 0.78 PTGS2 (0.52) PTGS2HDAC1HDAC2ALDH1A1
SCHEMBL10839920 0.76 HPGD (0.61) TDP1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL17052733 0.75 PTGS2 (0.50) PTGS2ALDH1A1HPGDPOLBHSD17B10
SCHEMBL6564711 0.74 PTGS2 (0.55) PTGS2ALDH1A1HPGDPOLBHSD17B10
SCHEMBL13668910 0.72 MTNR1A (0.61) PTGS2ALDH1A1POLB
SCHEMBL26083083 0.72 CYP1A2 (0.43) PTGS2TDP1ALDH1A1HPGDPOLB

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-20170320898-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2017-11-09 — — US disclosed
US-9670236-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-06-06 — — 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-20170320898-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 PTGS2 1823/4885HDAC1 1/4885HDAC2 6/4885

“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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