SCHEMBL5407634

SCHEMBL5407634

B.CC1(C)CCCC(C)(C)N1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8303206 0.96 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL15100 0.96 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
Bromide SCHEMBL11812350 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL18952368 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL10454771 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL986707 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
Water SCHEMBL14775667 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL232280 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL10454769 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL14912272 0.93 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2

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
WO-2017174868-A1 A METHOD TO PRODUCE BORANE COMPLEXES, REAGENTS FOR THE SAME, AND USE OF THE REAGENTS HELSINGIN YLIOPISTO (FI) 2017-10-12 WO disclosed
US-7179940-B2 (Aryl)(amino) borane compounds, method for preparing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-02-20 US disclosed
EP-1458729-B1 (ARYL) (AMINO) BORANE COMPOUNDS, METHOD FOR PREPARING SAME CENTRE NAT RECH SCIENT (FR) 2006-03-08 EP disclosed
US-20050107633-A1 (Aryl)(amino) borane compounds, method for preparing same UNIVERSITE DE RENNES (FR) 2005-05-19 US disclosed
EP-1458729-A1 (ARYL) (AMINO) BORANE COMPOUNDS, METHOD FOR PREPARING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-09-22 EP disclosed
WO-2003053981-A1 (ARYL) (AMINO) BORANE COMPOUNDS, METHOD FOR PREPARING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-07-03 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-20050107633-A1 (Aryl)(amino) borane compounds, method for preparing same AHR, NR1H2, CYP11B2 ALDH1A1 2113/4885SMN1; SMN2 4025/4885

“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.