SCHEMBL4354346

SCHEMBL4354346

c1ccc(N2CCOCCOCCOCCOCC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 3/20 0.67
HPGD P15428 3/20 0.67
HSD17B10 Q99714 3/20 0.67
PLD1 Q13393 1/20 0.59
LMNA P02545 1/20 0.53
AR P10275 1/20 0.53
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50

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
SCHEMBL29390734 0.98 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10PLD1
SCHEMBL22326 0.98 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10PLD1
SCHEMBL30619938 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10PLD1
SCHEMBL28184430 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10PLD1
SCHEMBL11059996 0.84 KCNH2 (0.67) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL1124002 0.84 HPGD (0.60) ALDH1A1KDM4EHPGDHSD17B10PLD1
SCHEMBL1123454 0.84 HPGD (0.60) ALDH1A1KDM4EHPGDHSD17B10PLD1
SCHEMBL21353591 0.83
SCHEMBL29857922 0.83 PLD1 (0.73) ALDH1A1KDM4EHPGDHSD17B10PLD1
SCHEMBL15800694 0.83 PLD1 (0.73) ALDH1A1KDM4EHPGDHSD17B10PLD1

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 ALDH1A1 3126/4885KDM4E 4486/4885HPGD 2364/4885

“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.