SCHEMBL2340142

SCHEMBL2340142

CCOC(=O)[C@H]1CC[C@H](OC2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2337316 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2340527 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2340147 1.00 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2342273 0.98 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2336246 0.98 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL14832401 0.98 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2348892 0.98 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2336241 0.98 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2340900 0.94 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2338896 0.94 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTPOLB

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-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
US-8642590-B2 Alkylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2358714-B1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
EP-2358714-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. Hoffmann-La Roche AG (CH) 2011-08-24 EP disclosed
WO-2010057795-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 WO disclosed
US-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 US 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-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, OXTR ALDH1A1 298/4885MEN1 1618/4885KMT2A 2930/4885
US-20140088124-A1 IMIDAZOLE DERIVATIVES DGAT1, DGAT2, SOAT1 ALDH1A1 196/4885MEN1 3577/4885KMT2A 822/4885

“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.