SCHEMBL22501030

SCHEMBL22501030

CC(C)CC(C)C/C=C/C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ GABRR1 P24046 2/20 0.39
▸ GABRR2 P28476 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ GABRR3 A8MPY1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA2 P47869 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ GABRA4 P48169 2/20 0.37

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
SCHEMBL23116185 1.00 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL1471988 1.00 TSHR (0.39) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL23494267 0.83 GABRR1 (0.37) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL11352108 0.83 KISS1R (0.35) LMNATDP1RNPEPSLC7A5ALDH1A1
SCHEMBL11352111 0.83 KISS1R (0.35) LMNATDP1RNPEPSLC7A5ALDH1A1
SCHEMBL15353 0.81 — —
SCHEMBL15352 0.81 — —
SCHEMBL12973059 0.81 — —
SCHEMBL23494364 0.81 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL23494092 0.81 BLM (0.38) TSHRGABRR1GABRR2BLMGABRR3

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
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 — — US claimed
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-05-02 — — US claimed
US-20240408180-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-12-12 — — US disclosed
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 — — US disclosed
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-05-02 — — US disclosed
EP-4305135-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-01-17 — — EP disclosed
US-20220257767-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-08-18 — — US disclosed
EP-3946261-A1 IONIC LIQUIDS FOR DRUG DELIVERY President And Fellows Of Harvard College (US) 2022-02-09 — — EP disclosed
CN-113939273-A Ionic liquids for drug delivery 哈佛大学校长及研究员协会 2022-01-14 — — CN disclosed
WO-2020205409-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-10-08 — — 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 (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-20220257767-A1 IONIC LIQUIDS FOR DRUG DELIVERY SLCO4C1, SLC47A1, ABCB11 TSHR 2714/4885GABRR1 2691/4885GABRR2 2472/4885
US-20240408180-A1 IONIC LIQUIDS FOR DRUG DELIVERY SLCO4C1, SLC47A1, ABCB11 TSHR 2714/4885GABRR1 2691/4885GABRR2 2472/4885
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE OR10J3, OR51E2, SRD5A2 TSHR 4035/4885GABRR1 2518/4885GABRR2 1478/4885

“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.

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