SCHEMBL4449191

SCHEMBL4449191

CC(OCCc1ccccc1)OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
IDO1 P14902 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ATM Q13315 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
SCHEMBL585803 0.92 LMNA (0.46) CA1CA2CA9IDO1SIGMAR1
SCHEMBL531070 0.92 CA1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL3959570 0.91 CA1 (0.41) CA1CA2CA9IDO1SIGMAR1
SCHEMBL682845 0.90 CA1 (0.40) CA1CA2CA9IDO1SIGMAR1
SCHEMBL3506182 0.89 MEN1 (0.44) IDO1SIGMAR1NPC1RAB9ATSHR
SCHEMBL3815806 0.88 CA1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL14094028 0.88 CA1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL92354 0.86 CA1 (0.44) CA1CA2CA9IDO1SIGMAR1
SCHEMBL2742278 0.86 NPC1 (0.41) CA1CA2CA9IDO1SIGMAR1
Hydrochloric Acid SCHEMBL29269900 0.85 TAAR1 (0.47) CA1CA2CA9IDO1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4338761-A1 PERFUMING COMPOSITIONS Firmenich SA (CH) 2024-03-20 EP disclosed
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 US disclosed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2020-11-05 US disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
EP-2129758-A2 PERFUME COMPOSITIONS Givaudan Nederland Services B.V. (NL) 2009-12-09 EP disclosed
WO-2008104352-A2 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 WO disclosed
US-H1613-H TREATING SOLVENT PHASE WITH CAUSTIC TO CONVERT BY-PRODUCTS TO EPICHLOROHYDRIN HERCULES INCORPORATED (US) 1996-11-05 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 (3 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-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor TAS2R8, TRPA1, TAS2R10 CA1 4530/4885CA2 1444/4885CA9 1513/4885
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 CA1 4530/4885CA2 1444/4885CA9 1513/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 CA1 4530/4885CA2 1444/4885CA9 1513/4885

“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.