SCHEMBL21144892

SCHEMBL21144892

CCCCC(CC)CC(C)CN(C)CC(O)C(O)C(O)C(O)CO

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TOP1 P11387 1/20 0.33
LMNA P02545 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA2 P00918 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL30864436 1.00 ALDH1A1 (0.42) ALDH1A1TOP1LMNATDP1CYP3A4
SCHEMBL21144801 0.87 ALDH1A1 (0.48) ALDH1A1TOP1LMNATDP1CYP3A4
SCHEMBL21166524 0.83 ALDH1A1 (0.43) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL21171932 0.83 TSHR (0.36) ALDH1A1TOP1LMNATDP1TSHR
SCHEMBL30592702 0.77 ALDH1A1 (0.55) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL13067633 0.77 LMNA (0.44) ALDH1A1TOP1LMNATDP1L3MBTL1
SCHEMBL21171928 0.77 LMNA (0.43) ALDH1A1TOP1LMNATDP1CYP3A4
SCHEMBL21142987 0.73 ALDH1A1 (0.43) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL16871884 0.73 ALDH1A1 (0.64) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL21901457 0.73 LMNA (0.58) TOP1LMNATDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3737662-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE Eastman Chemical Company (US) 2020-11-18 EP disclosed
CN-111601786-A Branched trialkylamine precursors, intermediates, products made therefrom, and methods of making 伊士曼化工公司 2020-08-28 CN disclosed
US-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE EASTMAN CHEMICAL COMPANY (US) 2019-07-18 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 (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-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE ACADM, ALK, FASN ALDH1A1 1105/4885TOP1 3871/4885LMNA 388/4885

“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.