SCHEMBL4269999

SCHEMBL4269999

CCCN1C=CN(CCC)C=C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL4272349 0.90 ALDH1A1 (0.35) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL4267490 0.90 ALDH1A1 (0.35) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL24525602 0.83 ALDH1A1 (0.35) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL1375028 0.83 ALDH1A1 (0.35) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL6740218 0.78
SCHEMBL13493092 0.78
SCHEMBL27714664 0.76 ALDH1A1 (0.32) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL18838747 0.76 NPC1 (0.44) ALDH1A1MAPTPKMSMN1; SMN2MEN1
SCHEMBL4274617 0.74 TSHR (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL74210 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060815-A1 MODIFYING AGENT, MODIFIED CONJUGATED DIENE-BASED POLYMER INCLUDING SAME AND METHOD FOR PREPARING POLYMER 주식회사 엘지화학 2021-04-01 WO disclosed
US-7605271-B2 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD (JP) 2009-10-20 US disclosed
CN-100471843-C Ultra-high purity ionic liquids DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2009-03-25 CN disclosed
CN-1854129-A Ultra-high purity ionic liquids DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2006-11-01 CN disclosed
US-20060223995-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-05 US disclosed
EP-1707265-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-04 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-20060223995-A1 Superhigh purity ionic liquid SLC7A5, SLC7A1, SLC43A1 ALDH1A1 4030/4885MAPT 4184/4885TP53 3300/4885

“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.