SCHEMBL3477943

SCHEMBL3477943

C=CCNCCCC(C)[N+](C)(C)C(C)(C(=O)[O-])C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
BBOX1 O75936 1/20 0.30

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
SCHEMBL623453 0.84 ALDH1A1 (0.33) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL278738 0.76 BBOX1 (0.33) BBOX1
SCHEMBL3823555 0.74 CA2 (0.45)
SCHEMBL7718260 0.74 CA2 (0.45)
SCHEMBL3827255 0.74 CA2 (0.45)
SCHEMBL278213 0.73 TSHR (0.36) NPSR1BBOX1
Acrylamide SCHEMBL2879989 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL724271 0.71 ALDH1A1 (0.36) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL254215 0.71 ALPL (0.35) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL7132370 0.69 BBOX1 (0.36) ALDH1A1GAAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266532-B1 Composite particles, method for preparing the same and cosmetic compositon SHINETSU CHEMICAL CO (JP) 2017-09-06 EP disclosed
US-9205031-B2 Composite particles, method for preparing the same and cosmetic composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-08 US disclosed
WO-2015106929-A1 OIL-IN-WATER SILICONE EMULSION COMPOSITION WACKER CHEMIE AG (DE) 2015-07-23 WO disclosed
US-20100330132-A1 COMPOSITE PARTICLES, METHOD FOR PREPARING THE SAME AND COSMETIC COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-12-30 US disclosed
EP-2266532-A2 Composite particles, method for preparing the same and cosmetic compositon Shin-Etsu Chemical Co., Ltd. (JP) 2010-12-29 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 (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-20100330132-A1 COMPOSITE PARTICLES, METHOD FOR PREPARING THE SAME AND COSMETIC COMPOSITION CUTA, AUP1, PLIN5 ALDH1A1 2059/4885GAA 2350/4885KDM4E 3158/4885

“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.