SCHEMBL659326

SCHEMBL659326

c1cc(C2(c3ccncc3)CCCCC2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HSD11B1 P28845 3/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.39
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
CYP19A1 P11511 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHKA P35790 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSD11B2 P80365 2/20 0.34

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
SCHEMBL4306573 0.92 ESR1 (0.46) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL12893250 0.88 ESR1 (0.77) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL13264420 0.88 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL19238848 0.87 ESR1 (0.52) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL27874941 0.76
SCHEMBL20033743 0.76 CYP19A1 (0.41) ALDH1A1L3MBTL1HSD11B1LMNACYP19A1
SCHEMBL19238852 0.75 CYP2A6 (0.47) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL24157288 0.74 ESR1 (0.58) ESR1ESR2ALDH1A1L3MBTL1SIGMAR1
SCHEMBL30877914 0.74 ESR1 (0.58) ESR1ESR2ALDH1A1L3MBTL1SIGMAR1
SCHEMBL30877902 0.74 ESR1 (0.58) ESR1ESR2ALDH1A1L3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US claimed
US-8283432-B2 Siloxane polymer containing tethered fluoroquinolone NDSU RESEARCH FOUNDATION (US) 2012-10-09 US disclosed
US-8278400-B2 Antifouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2012-10-02 US disclosed
US-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE NDSU RESEARCH FOUNDATION 2012-02-23 US disclosed
US-20100204399-A1 ANTIFOULING MATERIALS CONTAINING CATIONIC POLYSILOXANES NDSU RESEARCH FOUNDATION 2010-08-12 US disclosed
US-7771833-B2 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2010-08-10 US disclosed
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US disclosed
EP-1879972-A4 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RES FOUNDATION (US) 2008-10-15 EP disclosed
EP-1879972-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU Research Foundation (US) 2008-01-23 EP disclosed
US-20070042199-A1 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION 2007-02-22 US disclosed
WO-2006121937-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RESEARCH FOUNDATION (US) 2006-11-16 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 (2 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-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE QARS1, SEPTIN7, SMCHD1 ESR1 375/4885ESR2 2518/4885ALDH1A1 3261/4885
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin PUF60, QARS1, SEPTIN7 ESR1 1072/4885ESR2 3871/4885ALDH1A1 1791/4885

“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.