SCHEMBL4055366

SCHEMBL4055366

CCCCCc1c[nH]c(CC)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
GPR84 Q9NQS5 5/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL8858270 0.98 KCNH2 (0.48) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL6889381 0.98 KCNH2 (0.48) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL28376279 0.98 KCNH2 (0.48) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL3842012 0.94 HRH3 (0.41) KCNH2ALDH1A1PKMHPGDHRH3
SCHEMBL1063754 0.90 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL10697416 0.89 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL4445935 0.89 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL9817100 0.89 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL730079 0.89 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL9133514 0.89 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002003982-A1 ANTIMYCOTIC PHARMACEUTICAL INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) 2002-01-17 WO claimed
US-7625935-B2 High purity butoconazole nitrate with specified particle size and a process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-12-01 US disclosed
EP-1709005-B1 HIGH PURITY BUTOCONAZOLE NITRATE WITH SPECIFIED PARTICLE SIZE AND A PROCESS FOR PREPARATION THEREOF RICHTER GEDEON NYRT (HU) 2009-07-15 EP disclosed
US-20080221190-A1 High Purity Butoconazole Nitrate with Specified Particle Size and a Process for the Preparation Thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-09-11 US disclosed
EP-1903035-A2 High purity butoconazole nitrate with specified particle size and a process for preparation of thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2008-03-26 EP disclosed
EP-1709005-A1 HIGH PURITY BUTOCONAZOLE NITRATE WITH SPECIFIED PARTICLE SIZE AND A PROCESS FOR PREPARATION THEREOF RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2006-10-11 EP disclosed
WO-2005070897-A1 HIGH PURITY BUTOCONAZOLE NITRATE WITH SPECIFIED PARTICLE SIZE AND A PROCESS FOR PREPARATION THEREOF Richter Gedeon Vegyészeti Gyár Rt. (HU) 2005-08-04 WO disclosed
WO-2002003982-A1 ANTIMYCOTIC PHARMACEUTICAL INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) 2002-01-17 WO disclosed
EP-0897395-A1 POLYMERS CONTAINING $g(b)-HYDROXY ALKYL VINYL AMINE UNITS, PROCESS FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-02-24 EP disclosed
WO-1997042229-A1 POLYMERS CONTAINING β-HYDROXY ALKYL VINYL AMINE UNITS, PROCESS FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-11-13 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-20080221190-A1 High Purity Butoconazole Nitrate with Specified Particle Size and a Process for the Preparation Thereof CYP1B1, CYP51A1, CYP3A5 KCNH2 1477/4885ALDH1A1 430/4885PKM 1434/4885

“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.