SCHEMBL3506542

SCHEMBL3506542

CCCOC(=O)/C=C\c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 10/20 0.66
▸ L3MBTL1 Q9Y468 7/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ TDP1 Q9NUW8 14/20 0.62
▸ CACNA1B Q00975 2/20 0.62
▸ APBA1 Q02410 2/20 0.62
▸ RECQL P46063 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ APEX1 P27695 3/20 0.60
▸ CTDSP1 Q9GZU7 3/20 0.55
▸ APOBEC3A P31941 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HCAR2 Q8TDS4 1/20 0.54

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
SCHEMBL873279 1.00 POLB (0.66) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL873278 1.00 POLB (0.66) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL2790157 0.91 POLB (0.63) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL2790159 0.91 POLB (0.63) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL7141925 0.91 L3MBTL1 (0.67) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL7141927 0.91 L3MBTL1 (0.67) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL31310052 0.90 POLB (0.62) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL7136769 0.88 L3MBTL1 (0.63) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL7136767 0.88 L3MBTL1 (0.63) POLBL3MBTL1ALDH1A1TDP1CACNA1B
SCHEMBL7588166 0.88 L3MBTL1 (0.63) POLBL3MBTL1ALDH1A1TDP1CACNA1B

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-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 — — EP 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
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 — — CN disclosed
US-10695277-B2 Pro-fragrance composition AQDOT LIMITED (GB) 2020-06-30 — — US disclosed
US-20190046426-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2019-02-14 — — US disclosed
EP-3416729-A1 PRO-FRAGRANCE COMPOSITION Aqdot Limited (GB) 2018-12-26 — — EP disclosed
WO-2017141030-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2017-08-24 — — WO 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
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
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 — — 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-20190046426-A1 PRO-FRAGRANCE COMPOSITION COPS5, COPS8, CBR3 POLB 3432/4885L3MBTL1 1797/4885ALDH1A1 1526/4885
US-10695277-B2 Pro-fragrance composition COPS5, COPS8, CBR3 POLB 3432/4885L3MBTL1 1797/4885ALDH1A1 1526/4885

“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.

Send feedback