SCHEMBL16090845

SCHEMBL16090845

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nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.41
MAPT P10636 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PTPN1 P18031 2/20 0.38
LMNA P02545 2/20 0.37
ACHE P22303 1/20 0.32
PAOX Q6QHF9 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
SLC15A2 Q16348 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL16090839 1.00 BLM (0.41) BLMMAPTACE2ALDH1A1PTPN1
SCHEMBL16090846 1.00 BLM (0.41) BLMMAPTACE2ALDH1A1PTPN1
SCHEMBL19870466 1.00 BLM (0.41) BLMMAPTACE2ALDH1A1PTPN1
SCHEMBL11207440 0.91 PTPN1 (0.41) BLMMAPTACE2ALDH1A1PTPN1
SCHEMBL4330872 0.91
SCHEMBL408474 0.91
SCHEMBL17953992 0.91
SCHEMBL7543820 0.91
SCHEMBL10735792 0.89 ACE2 (0.41) BLMMAPTACE2ALDH1A1PTPN1
SCHEMBL24555885 0.88 CA2 (0.46) BLMMAPTACE2ALDH1A1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2018-02-15 US disclosed
US-9713330-B1 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2017-07-25 US disclosed
US-9179670-B2 Deuterium-enriched aldehydes DEUTERIA AGROCHEMICALS, LLC (US) 2015-11-10 US disclosed
US-20150208651-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2015-07-30 US disclosed
US-9023336-B2 Deuterium-enriched aldehydes Deuterra Agrochemicals, LLC (US) 2015-05-05 US disclosed
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES DEUTERIA AGROCHEMICALS, LLC 2014-09-18 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 (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-20150208651-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 BLM 395/4885MAPT 4015/4885ACE2 878/4885
US-20140271537-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 BLM 395/4885MAPT 4015/4885ACE2 878/4885
US-20180042229-A1 DEUTERIUM-ENRICHED ALDEHYDES XDH, ALDH5A1, AOX1 BLM 395/4885MAPT 4015/4885ACE2 878/4885

“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.