SCHEMBL6447503

SCHEMBL6447503

CCCCC(C)(C)C=CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.48
HCAR2 Q8TDS4 4/20 0.41
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL22500984 1.00 TBXAS1 (0.48) TBXAS1HCAR2ACHEBACE1S1PR1
SCHEMBL6450261 0.94 TBXAS1 (0.50) TBXAS1HCAR2S1PR1S1PR3GMNN
SCHEMBL3200011 0.89 TBXAS1 (0.55) TBXAS1HCAR2APEX1BLM
SCHEMBL3200006 0.89 TBXAS1 (0.55) TBXAS1HCAR2APEX1BLM
SCHEMBL3204835 0.89 TBXAS1 (0.51) TBXAS1HCAR2S1PR1S1PR3APEX1
SCHEMBL3204840 0.89 TBXAS1 (0.51) TBXAS1HCAR2S1PR1S1PR3APEX1
SCHEMBL6450323 0.87 TBXAS1 (0.43) TBXAS1HCAR2ACHEBACE1S1PR1
SCHEMBL3192910 0.84 TBXAS1 (0.46) TBXAS1HCAR2APEX1BLM
SCHEMBL3192914 0.84 TBXAS1 (0.46) TBXAS1HCAR2APEX1BLM
SCHEMBL6025774 0.80 HCAR2 (0.39) TBXAS1HCAR2ACHEBACE1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408180-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-12-12 US disclosed
EP-4412587-A1 IONIC LIQUIDS FOR DRUG DELIVERY President And Fellows Of Harvard College (US) 2024-08-14 EP disclosed
CN-112980543-B High viscosity index comb polymer viscosity modifiers and methods of using the same to alter lubricant viscosity 英菲诺姆国际有限公司 2023-12-19 CN disclosed
WO-2023059846-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-13 WO disclosed
WO-2022271537-A1 COMPOSITIONS AND METHODS RELATING TO INJECTABLE MICROEMULSIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 WO 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
CN-112980549-A High viscosity index comb polymer viscosity modifiers and methods of using the same to modify lubricant viscosity 英菲诺姆国际有限公司 2021-06-18 CN disclosed
CN-112980542-A High viscosity index comb polymer viscosity modifiers and methods of using the same to modify lubricant viscosity 英菲诺姆国际有限公司 2021-06-18 CN disclosed
CN-112980543-A High viscosity index comb polymer viscosity modifiers and methods of using the same to modify lubricant viscosity 英菲诺姆国际有限公司 2021-06-18 CN disclosed
WO-2020205409-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-10-08 WO disclosed
US-6916543-B2 Copolymer, photoresist compositions thereof and deep UV bilayer system thereof ARCH SPECIALTY CHEMICALS, INC. (US) 2005-07-12 US disclosed
US-20040137362-A1 Novel copolymer, photoresist compositions thereof and deep UV bilayer system thereof ARCH SPECIALTY CHEMICALS, INC. 2004-07-15 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-20220257767-A1 IONIC LIQUIDS FOR DRUG DELIVERY SLCO4C1, SLC47A1, ABCB11 TBXAS1 2862/4885HCAR2 2748/4885ACHE 4270/4885
US-20240408180-A1 IONIC LIQUIDS FOR DRUG DELIVERY SLCO4C1, SLC47A1, ABCB11 TBXAS1 2862/4885HCAR2 2748/4885ACHE 4270/4885

“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.