SCHEMBL1016252

SCHEMBL1016252

C=CC[N+](C)(C)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ACHE P22303 3/20 0.33
BCHE P06276 2/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32

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
Hydrochloric Acid SCHEMBL3985454 0.98 ALDH1A1 (0.48) BBOX1TSHRALDH1A1LMNAAPEX1
Water SCHEMBL10920607 0.98 BBOX1 (0.46) BBOX1TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL1356056 0.94 TSHR (0.58) BBOX1TSHRALDH1A1LMNAAPEX1
Bicarbonate SCHEMBL2704201 0.82 BBOX1 (0.52) BBOX1TSHRALDH1A1LMNAAPEX1
Succinic Acid SCHEMBL28710004 0.81 BBOX1 (0.52) BBOX1TSHRALDH1A1LMNAKMT2A
SCHEMBL6277757 0.79 BBOX1 (0.60) BBOX1ALDH1A1KMT2AATMACHE
Hydrochloric Acid SCHEMBL3985779 0.79 ALDH1A1 (0.48) BBOX1TSHRALDH1A1LMNAAPEX1
Bromide SCHEMBL9495868 0.79 BBOX1 (0.46) BBOX1ALDH1A1LMNAKMT2AATM
Bicarbonate SCHEMBL2704202 0.78 BBOX1 (0.59) BBOX1TSHRALDH1A1LMNAKMT2A
Acrylic Acid SCHEMBL27587559 0.78 LMNA (0.50) BBOX1TSHRALDH1A1LMNAKMT2A

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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109847800-A A kind of poly- carboxyl type heteropoly acid poly ion liquid and its preparation method and application 闽江学院 2019-06-07 CN claimed
US-7591949-B2 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG (DE) 2009-09-22 US claimed
US-20080311184-A1 METHOD FOR DEVELOPING, TESTING, AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES IDEA AG (DE) 2008-12-18 US claimed
EP-1829527-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP claimed
EP-1829528-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP claimed
US-20070184114-A1 Formulation for topical non-invasive application in vivo IDEA AG (DE) 2007-08-09 US claimed
EP-1815846-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP claimed
EP-1815847-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP claimed
US-20050123897-A1 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG 2005-06-09 US claimed
EP-1140021-B1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG (DE) 2004-08-04 EP claimed
US-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2004-06-03 US claimed
US-20030099694-A1 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG (DE) 2003-05-29 US claimed
US-5900386-A GROUP IB OR 8 METALS ON SUPPORT DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-05-04 US claimed
US-5681808-A Detergent compositions DOW CORNING TORAY SILICONE CO., LTD. (JP) 1997-10-28 US claimed
EP-0745648-A2 Stable dispersible silicone compositions DOW CORNING CORPORATION (US) 1996-12-04 EP claimed
EP-0004137-B1 IMMUNOGENIC CELL ENVELOPE PREPARATIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-11-11 EP claimed
US-4248862-A Immunogenic cell envelope preparations THE SECRETARY OF STATE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1981-02-03 US claimed
EP-0004137-A1 Immunogenic cell envelope preparations NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-09-19 EP claimed
US-20240099976-A1 BLENDED FORMULATIONS SEQUESSOME TECHNOLOGY HOLDINGS LIMITED (MT) 2024-03-28 US disclosed
EP-0004137-A1 Immunogenic cell envelope preparations NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-09-19 EP 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 (4 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-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CUTA, ABCG2, PIGS BBOX1 4663/4885TSHR 3410/4885ALDH1A1 2042/4885
US-20070184114-A1 Formulation for topical non-invasive application in vivo GPX4, LPO, MMP8 BBOX1 855/4885TSHR 4612/4885ALDH1A1 2763/4885
US-20030099694-A1 Method for the improvement of transport across adaptable semi-permeable barriers ABCG2, NPC1L1, KIT BBOX1 4668/4885TSHR 3118/4885ALDH1A1 2445/4885
US-20050123897-A1 Method for the improvement of transport across adaptable semi-permeable barriers NPC1L1, ABCG2, SLC7A1 BBOX1 4790/4885TSHR 2897/4885ALDH1A1 2009/4885

“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.