SCHEMBL21144801

SCHEMBL21144801

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 4/20 0.39
TSHR P16473 2/20 0.39
TOP1 P11387 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 2/20 0.34
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.32
CYP2D6 P10635 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 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
SCHEMBL21144892 0.87 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTOP1KDM4E
SCHEMBL30864436 0.87 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTOP1KDM4E
SCHEMBL13067633 0.86 LMNA (0.44) ALDH1A1TOP1KDM4ELMNATDP1
SCHEMBL21171928 0.86 LMNA (0.43) ALDH1A1CYP3A4TOP1KDM4ELMNA
SCHEMBL833730 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRKDM4ELMNA
SCHEMBL21171932 0.80 TSHR (0.36) ALDH1A1TSHRTOP1LMNATDP1
Hydrochloric Acid SCHEMBL11419454 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRKDM4ELMNA
Iodide SCHEMBL30985992 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRKDM4ELMNA
SCHEMBL21901457 0.78 LMNA (0.58) TOP1KDM4ELMNATDP1L3MBTL1
SCHEMBL27291406 0.78 LMNA (0.58) TOP1KDM4ELMNATDP1L3MBTL1

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 1105/4885CYP3A4 249/4885TSHR 2579/4885

“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.