SCHEMBL916229

SCHEMBL916229

O=C(NCC1CCC(C(=O)O)CC1)OCCCOC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
BCHE P06276 2/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
VCP P55072 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
SCHEMBL915175 0.88 ALDH1A1 (0.43) ALDH1A1GAAHDAC3HDAC4HDAC1
SCHEMBL915177 0.88 ALDH1A1 (0.43) ALDH1A1GAAHDAC3HDAC4HDAC1
SCHEMBL916062 0.80 VCP (0.44) BCHEALDH1A1GAAVCPMEN1
SCHEMBL594858 0.78 ALDH1A1 (0.67) ALDH1A1GAALMNACYP2C19MEN1
SCHEMBL594857 0.78 ALDH1A1 (0.67) ALDH1A1GAALMNACYP2C19MEN1
SCHEMBL27696234 0.78 KMT2A (0.46) KMT2A
SCHEMBL5125741 0.78 KMT2A (0.46) KMT2A
SCHEMBL914469 0.77 KMT2A (0.45) SCN1ASCN2ASCN3AALDH1A1LMNA
SCHEMBL914468 0.77 KMT2A (0.45) SCN1ASCN2ASCN3AALDH1A1LMNA
SCHEMBL4654803 0.77 ALDH1A1 (0.65) ALDH1A1GAALMNACYP2C19MEN1

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-8372881-B2 Acyloxyalkyl carbamate prodrugs of tranexamic acid, methods of synthesis and use XENOPORT, INC. (US) 2013-02-12 US disclosed
US-20110009483-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2011-01-13 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-20110009483-A1 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE ACMSD, APEH, CPS1 TDP1 1931/4885BCHE 735/4885SCN1A 2983/4885

“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.