SCHEMBL2163300

SCHEMBL2163300

C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)C(O)C(O)C(=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
CYP1A2 P05177 4/20 0.50
HRH1 P35367 1/20 0.50
MAPT P10636 5/20 0.49
MAPK1 P28482 4/20 0.49
GMNN O75496 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
TP53 P04637 3/20 0.49
TSHR P16473 3/20 0.49
HSP90AA1 P07900 2/20 0.49
BLM P54132 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 2/20 0.49
GLA P06280 1/20 0.48
PMP22 Q01453 1/20 0.48
CYP2C19 P33261 2/20 0.47

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
SCHEMBL94476 1.00 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL93717 1.00 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL27925466 0.93 LMNA (0.66) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL27768779 0.93 LMNA (0.66) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL27493791 0.92 LMNA (0.64) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL27469410 0.89 LMNA (0.60) LMNASMN1; SMN2MEN1KMT2ACYP1A2
Zinc Ion SCHEMBL7620932 0.87 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL27669980 0.87 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2507637 0.87 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3899729 0.87 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190402-B2 BIOTIN AND SILICA IN DYE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2018-10-17 EP claimed
EP-2190402-B1 BIOTIN AND SILICA IN DYE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2016-01-13 EP claimed
US-20140276480-A1 BIOMOLECULAR WEARABLE APPARATUS LIFEWAVE, INC. (US) 2014-09-18 US claimed
US-8277516-B2 Lightening agent having cationic acylpyridinium derivatives and certain ammonium compounds HENKEL AG & CO. KGAA (DE) 2012-10-02 US claimed
US-20120192890-A1 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS HENKEL AG & CO. KGAA (DE) 2012-08-02 US claimed
US-20110184356-A1 BIOMOLECULAR WEARABLE APPARATUS LIFEWAVE PRODUCTS, LLC (US) 2011-07-28 US claimed
CN-1791615-A A process for the preparation of hydroxy polymer esters and their use CIBA SC HOLDING AG (CH) 2006-06-21 CN claimed
US-9943672-B2 Biomolecular wearable apparatus LIFEWAVE, INC. (US) 2018-04-17 US disclosed
US-9724531-B2 Double helix conductor with light emitting fluids for producing photobiomodulation effects in living organisms MEDICAL ENERGETICS LTD. (IE) 2017-08-08 US disclosed
US-20140276480-A1 BIOMOLECULAR WEARABLE APPARATUS LIFEWAVE, INC. (US) 2014-09-18 US disclosed
US-8734316-B2 Biomolecular wearable apparatus LIFEWAVE, INC. (US) 2014-05-27 US disclosed
US-8277516-B2 Lightening agent having cationic acylpyridinium derivatives and certain ammonium compounds HENKEL AG & CO. KGAA (DE) 2012-10-02 US disclosed
US-20120192890-A1 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS HENKEL AG & CO. KGAA (DE) 2012-08-02 US disclosed
US-20110184356-A1 BIOMOLECULAR WEARABLE APPARATUS LIFEWAVE PRODUCTS, LLC (US) 2011-07-28 US disclosed
CN-1791615-A A process for the preparation of hydroxy polymer esters and their use CIBA SC HOLDING AG (CH) 2006-06-21 CN 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 (1 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-20120192890-A1 LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS KRT18, AAAS, KATNAL2 LMNA 1111/4885SMN1; SMN2 4438/4885MEN1 4523/4885

“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.