SCHEMBL4134073

SCHEMBL4134073

CCCCCCc1nc(CC)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
KCNH2 Q12809 1/20 0.44
GPR84 Q9NQS5 5/20 0.41
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL10758020 1.00 ALDH1A1 (0.44) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL27983100 1.00 ALDH1A1 (0.44) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL3846855 0.92 HRH3 (0.41) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL10697416 0.91 KCNH2 (0.50) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL9817100 0.91 KCNH2 (0.50) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL730079 0.91 KCNH2 (0.50) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL4445935 0.91 KCNH2 (0.50) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL9133514 0.91 KCNH2 (0.50) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL28413083 0.91 KCNH2 (0.50) ALDH1A1PKMHPGDKCNH2GPR84
SCHEMBL27668867 0.91 KCNH2 (0.50) ALDH1A1PKMHPGDKCNH2GPR84

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
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-7507782-B2 Transition-metal complexes with tridentate, nitrogen-containing ligands BASELL POLYOLEFINE GMBH (DE) 2009-03-24 US disclosed
US-20070185328-A1 Transition-metal complexes with tridentate, nitrogen-containing ligands MIHAN SHAHRAM 2007-08-09 US disclosed
EP-1625168-A1 TRANSITION-METAL COMPLEXES WITH TRIDENTATE, NITROGEN-CONTAINING LIGANDS Basell Polyolefine GmbH (DE) 2006-02-15 EP disclosed
WO-2004104052-A1 TRANSITION-METAL COMPLEXES WITH TRIDENTATE, NITROGEN-CONTAINING LIGANDS BASELL POLYOLEFINE GMBH (DE) 2004-12-02 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-20070185328-A1 Transition-metal complexes with tridentate, nitrogen-containing ligands NMT1, TNS4, PUF60 ALDH1A1 4614/4885PKM 2851/4885HPGD 1635/4885

“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.