SCHEMBL4357869

SCHEMBL4357869

COC(=O)c1cccc(N2CCOCCOCCOCCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.67
ALOX15 P16050 2/20 0.65
MAPT P10636 1/20 0.65
PKM P14618 1/20 0.65
MRGPRX4 Q96LA9 1/20 0.65
PLOD2 O00469 2/20 0.57
PLOD3 O60568 2/20 0.57
PLOD1 Q02809 2/20 0.57
PRKDC P78527 1/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 1/20 0.52
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MGLL Q99685 1/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
HTR7 P34969 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KDM1A O60341 1/20 0.48

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
SCHEMBL4250883 0.99 KMO (0.68) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL5743752 0.85 ALDH1A1 (0.66) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL4203044 0.84 ALDH1A1 (0.64) ALOX15MAPTPKMMRGPRX4LMNA
SCHEMBL8698430 0.83 KMO (0.63) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL475555 0.83 MRGPRX4 (0.54) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL1490676 0.82 PLOD2 (0.60) PLOD2PLOD3PLOD1LMNAALDH1A1
SCHEMBL30474594 0.82 PLOD2 (0.67) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL28692105 0.82 PLOD2 (0.67) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL13724478 0.82 KMO (0.74) KMOMAPTPLOD2PLOD3PLOD1
SCHEMBL1645102 0.82 MRGPRX4 (0.60) ALOX15MAPTPKMMRGPRX4PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541462-B2 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 US disclosed
US-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC.. 2008-06-12 US disclosed
US-7385058-B1 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-06-10 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-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION ABL1, AOC1, NPPA KMO 3454/4885ALOX15 3967/4885MAPT 3909/4885

“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.