SCHEMBL4582580

SCHEMBL4582580

NCCCCCCCOCC(N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.52
EPHX1 P07099 1/20 0.50
TACR1 P25103 1/20 0.50
SCN4A P35499 2/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ANPEP P15144 1/20 0.44
MAOA P21397 1/20 0.43
TLR2 O60603 4/20 0.42

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
SCHEMBL29324444 0.83 EPHX1 (0.61) MMP2EPHX1TACR1SCN4AANPEP
SCHEMBL7450428 0.78 EPHX1 (0.55) MMP2EPHX1TACR1SCN4AANPEP
SCHEMBL7450422 0.78 EPHX1 (0.55) MMP2EPHX1TACR1SCN4AANPEP
SCHEMBL7450433 0.78 EPHX1 (0.55) MMP2EPHX1TACR1SCN4AANPEP
SCHEMBL16429484 0.78 EPHX1 (0.59) MMP2EPHX1ANPEPMAOA
SCHEMBL16429100 0.78 EPHX1 (0.59) MMP2EPHX1ANPEPMAOA
SCHEMBL8639910 0.78 EPHX1 (0.59) MMP2EPHX1ANPEPMAOA
SCHEMBL8629574 0.78 EPHX1 (0.59) MMP2EPHX1ANPEPMAOA
Hydrochloric Acid SCHEMBL28199429 0.76 EPHX1 (0.57) MMP2EPHX1ANPEPMAOA
Hydrochloric Acid SCHEMBL28198880 0.76 EPHX1 (0.57) MMP2EPHX1ANPEPMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 US disclosed
US-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 US disclosed
EP-1585754-A2 ALKYL-LINKED NUCLEOTIDE COMPOSITIONS Serenex, Inc. (US) 2005-10-19 EP disclosed
US-20040215009-A1 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2004-10-28 US disclosed
WO-2004065566-A2 ALKYL-LINKED NUCLEOTIDE COMPOSITIONS SERENEX, INC. (US) 2004-08-05 WO 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-20040215009-A1 Alkyl-linked nucleotide compositions NT5C3B, NUDT1, NT5C2 MMP2 4039/4885EPHX1 1790/4885TACR1 4216/4885

“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.