SCHEMBL1663351

SCHEMBL1663351

CCC(C)c1ccc2c(c1)OC(C(C)=O)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 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
SCHEMBL1291771 0.84 PTGS1 (0.38) ALDH1A1GAAHPGDNPSR1MEN1
SCHEMBL23809790 0.74 ALDH1A1 (0.38) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL10058036 0.70 POLB (0.38)
SCHEMBL1292112 0.70 NPC1 (0.39) ALDH1A1NPSR1NPC1RAB9AMEN1
SCHEMBL4147982 0.68 POLB (0.36) HPGDPTGS1PTGS2HTTCYP1A2
SCHEMBL25726179 0.68 TSHR (0.50) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13144262 0.68 ALDH1A1 (0.45) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL19122234 0.68 PTGS1 (0.39) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL13144265 0.67 ALDH1A1 (0.47) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL2618697 0.67 CYP2D6 (0.53) NPSR1MEN1KMT2ACYP1A2CYP2C9

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 15 patents. 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 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-20150152352-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2015-06-04 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-8987188-B2 Benzodioxole derivatives as watery odorants FIRMENICH SA (CH) 2015-03-24 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
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 ALDH1A1 452/4885GAA 4586/4885USP2 3509/4885
US-20130288947-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS BBOX1, CBR3, CBR1 ALDH1A1 789/4885GAA 4804/4885USP2 2912/4885

“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.