SCHEMBL13758333

SCHEMBL13758333

C=CC(=O)OCCCCCN1C(=O)c2cccc3c([S+](C)[O-])ccc(c23)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC1 Q13547 9/20 0.41
▸ HDAC6 Q9UBN7 9/20 0.41
▸ HDAC3 O15379 8/20 0.41
▸ HDAC11 Q96DB2 8/20 0.41
▸ HDAC8 Q9BY41 8/20 0.41
▸ NCOR2 Q9Y618 7/20 0.41
▸ HDAC2 Q92769 5/20 0.40
▸ HDAC7 Q8WUI4 4/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC5 Q9UQL6 4/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 4/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39

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
SCHEMBL13751088 0.87 CDC25A (0.41) MAPK1HPGDHSD17B10HDAC1HDAC6
SCHEMBL14434585 0.85 CDC25A (0.42) MAPK1HDAC1HDAC6HDAC3HDAC11
SCHEMBL13751093 0.82 HDAC1 (0.46) MAPK1HPGDHSD17B10HDAC1HDAC6
SCHEMBL14434564 0.81 HDAC1 (0.45) MAPK1HPGDHSD17B10HDAC1HDAC6
SCHEMBL16117997 0.80 ALDH1A1 (0.56) HPGDHSD17B10HDAC1HDAC6HDAC3
SCHEMBL13751092 0.79 HDAC1 (0.41) MAPK1HPGDHSD17B10HDAC1HDAC6
SCHEMBL5379056 0.79 ALDH1A1 (0.45) MAPK1HPGDHSD17B10HDAC1HDAC6
SCHEMBL14434588 0.79 HDAC1 (0.45) MAPK1HPGDHSD17B10HDAC1HDAC6
SCHEMBL13751087 0.79 HDAC1 (0.42) MAPK1HPGDHSD17B10HDAC1HDAC6
SCHEMBL16118001 0.78 TSHR (0.50) HPGDALDH1A1LMNATSHRMEN1

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-20090214460-A9 Composition Comprising a Monomer Compound Exhibiting an Optical Property, Method Making Use of Said Composition, a Monomer Compound and a Polymer Containing Said Monomer Compound and the Use Thereof L'OREAL S.A. (FR) 2009-08-27 — — US disclosed
US-20080226581-A1 Composition Comprising a Monomer Compound Exhibiting an Optical Property, Method Making Use of Said Composition, a Monomer Compound and a Polymer Containing Said Monomer Compound and the Use Thereof L'OREAL S.A. (FR) 2008-09-18 — — 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-20080226581-A1 Composition Comprising a Monomer Compound Exhibiting an Optical Property, Method Making Use of Said Composition, a Monomer Compound and a Polymer Containing Said Monomer Compound and the Use Thereof KRT18, MITF, CUTA MAPK1 3022/4885HPGD 1836/4885HSD17B10 3831/4885
US-20090214460-A9 Composition Comprising a Monomer Compound Exhibiting an Optical Property, Method Making Use of Said Composition, a Monomer Compound and a Polymer Containing Said Monomer Compound and the Use Thereof KRT18, MITF, CUTA MAPK1 3022/4885HPGD 1836/4885HSD17B10 3831/4885

“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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