SCHEMBL1292011

SCHEMBL1292011

CC(=O)C1Oc2ccc(CC3CCCC3)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.36
CYP3A4 P08684 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
LDLR P01130 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1291782 0.76 PTGS2 (0.40) CYP3A4ALDH1A1POLBMTNR1A
SCHEMBL29852250 0.76 PTGS2 (0.40) CYP3A4ALDH1A1POLBMTNR1A
SCHEMBL1291703 0.75 ACMSD (0.43) KMT2ASMN1; SMN2TDP1POLBKDM4E
SCHEMBL1292044 0.74 PTGS2 (0.38) CYP3A4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1292040 0.74 ALDH1A1 (0.46) ALDH1A1POLB
SCHEMBL1663353 0.72 PTGS2 (0.38) CYP3A4POLB
SCHEMBL7741578 0.70 CYP3A4 (0.56) CYP3A4MEN1KMT2AALDH1A1LMNA
SCHEMBL1291721 0.69 PTGS2 (0.35) CYP3A4ALDH1A1POLBKDM4E
SCHEMBL1291722 0.69 PTGS2 (0.35) CYP3A4ALDH1A1POLBKDM4E
SCHEMBL19005894 0.69 PTGS2 (0.35) CYP3A4ALDH1A1POLBKDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2624811-B1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH & CIE (CH) 2017-06-21 EP claimed
US-9382500-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2016-07-05 US claimed
US-20150152352-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2015-06-04 US claimed
US-8987188-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2015-03-24 US claimed
US-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2013-10-31 US claimed
EP-2624811-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS Firmenich SA (CH) 2013-08-14 EP claimed
WO-2012045646-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2012-04-12 WO claimed
EP-2624811-B1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH & CIE (CH) 2017-06-21 EP disclosed
EP-2624811-B1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH & CIE (CH) 2017-06-21 EP disclosed
US-9382500-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2016-07-05 US disclosed
US-9382500-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2016-07-05 US disclosed
US-9382500-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2016-07-05 US disclosed
US-20150152352-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2015-06-04 US disclosed
US-8987188-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2015-03-24 US disclosed
US-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2013-10-31 US disclosed
US-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2013-10-31 US disclosed
US-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2013-10-31 US disclosed
EP-2624811-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS Firmenich SA (CH) 2013-08-14 EP disclosed
WO-2012045646-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2012-04-12 WO disclosed
WO-2012045646-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2012-04-12 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-20150152352-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS TRPA1, BBOX1, PAOX MCHR1 1331/4885CYP3A4 194/4885MEN1 3762/4885
US-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS BBOX1, CBR3, CBR1 MCHR1 1029/4885CYP3A4 131/4885MEN1 3809/4885

“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.