SCHEMBL16638628

SCHEMBL16638628

O=C(O)CCN(CCOCCO)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CAMK2A Q9UQM7 1/20 0.36
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
KDM5A P29375 1/20 0.33
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GAA P10253 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
SCHEMBL12847592 0.82 KMT2A (0.47) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL23191197 0.82 PMP22 (0.60) BLMPMP22HSD17B10TSHRCA1
SCHEMBL1463983 0.82 TSHR (0.62) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL3418535 0.81 BLM (0.79) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL11367273 0.80 BLM (0.53) BLMPMP22HSD17B10TSHRCA1
Succinic Acid SCHEMBL1986734 0.79 TSHR (0.59) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL30359262 0.79 TSHR (0.59) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL63684 0.79 MEN1 (0.65) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL12907797 0.79 MEN1 (0.65) BLMPMP22HSD17B10TSHRMAPK1
SCHEMBL29428430 0.79 BLM (0.47) BLMPMP22HSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 BLM 1383/4885PMP22 869/4885HSD17B10 2621/4885

“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.