SCHEMBL29619487

SCHEMBL29619487

CC(C)CCC(=O)O.CC(C)CCOC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
CYP1A2 P05177 1/20 0.42
FOLH1 Q04609 3/20 0.39
CA1 P00915 2/20 0.39
THRA P10827 1/20 0.39

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
Propionic Acid SCHEMBL16344134 0.86 FFAR3 (0.40) CYP1A2FOLH1CA1THRATHRB
Hexanoate SCHEMBL29143598 0.84 AKR1B1 (0.52) CYP1A2BLMMEN1TSHRCYP2C19
SCHEMBL29227586 0.83 ALDH1A1 (0.44) CA1MAPK1TDP1
SCHEMBL93241 0.83
SCHEMBL29115033 0.81
3-Methylbutanoic Acid SCHEMBL31181337 0.79 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25603 0.78
SCHEMBL285223 0.78 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13791940 0.78 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
Terephthalic Acid SCHEMBL22719986 0.77 MAPK1 (0.63) CA1MAPK1TSHRKMT2A

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
CN-118901963-A Method for improving aroma of concentrated peach juice 中华全国供销合作总社济南果品研究所 2024-11-08 CN disclosed
CN-118899539-A Preparation method of lithium ion battery high-entropy ester electrolyte suitable for ultralow-temperature working condition 中国科学院大连化学物理研究所 2024-11-05 CN disclosed
CN-118518775-A Method for distinguishing single nectar from mixed nectar 汉中市食品药品监督检验检测中心(陕西省茶叶产品质量监督检测中心) 2024-08-20 CN disclosed
US-20240041752-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-02-08 US disclosed
EP-4288022-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-12-13 EP disclosed
CN-110515266-B Pattern forming method 信越化学工业株式会社 2023-06-23 CN disclosed
CN-110515272-B Pattern forming method 信越化学工业株式会社 2023-06-23 CN disclosed
WO-2022167123-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-08-11 WO disclosed
EP-4039244-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2022-08-10 EP disclosed
US-11366386-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-06-21 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-11366386-B2 Patterning process FEM1B, EGLN1, TET1 GABRP 3596/4885GABRD 814/4885GABRA1 1435/4885
US-20240041752-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AOX1, TYR, OCIAD1 GABRP 2807/4885GABRD 1990/4885GABRA1 2409/4885

“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.