SCHEMBL4522517

SCHEMBL4522517

OC(c1nnnn1Cc1ccccc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.51
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
SLC1A2 P43004 1/20 0.50
POLB P06746 3/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL7986397 0.84 ALDH1A1 (0.54) ALDH1A1GAATSHR
SCHEMBL4518149 0.75 MAPK1 (0.56) HRH3ALDH1A1SLC1A2POLBLMNA
SCHEMBL10969069 0.74 ALDH1A1 (0.59) HRH3ALDH1A1SLC1A2POLBLMNA
SCHEMBL4408776 0.72 ALDH1A1 (0.60) HRH3ALDH1A1SLC1A2POLBLMNA
SCHEMBL1414194 0.71 ALDH1A1 (0.53) ALDH1A1LMNATSHRMAPK1
SCHEMBL1318724 0.67 LMNA (0.57) ALDH1A1LMNATSHRMAPK1
SCHEMBL27333607 0.67 LMNA (0.57) ALDH1A1GAALMNATSHRMAPK1
SCHEMBL18387989 0.67 ALDH1A1 (0.57) HRH3ALDH1A1SLC1A2POLBLMNA
SCHEMBL717194 0.67 CYP19A1 (0.43) ALDH1A1
SCHEMBL6357644 0.66 ALDH1A1 (0.46) HRH3ALDH1A1POLBLMNATSHR

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-20090306397-A1 Method for the production of substituted azoles LANXESS DEUTSCHLAND GMBH (DE) 2009-12-10 US disclosed
EP-1891025-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AZOLES Lanxess Deutschland GmbH (DE) 2008-02-27 EP disclosed
WO-2006131228-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED AZOLES LANXESS DEUTSCHLAND GMBH (DE) 2006-12-14 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-20090306397-A1 Method for the production of substituted azoles CYP11B1, CYP11B2, CYP4F11 HRH3 926/4885ALDH1A1 389/4885GAA 1410/4885

“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.