SCHEMBL16638629

SCHEMBL16638629

O=C(O)CCNCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LTA4H P09960 2/20 0.37
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 2/20 0.36
CAMK2A Q9UQM7 1/20 0.36
S1PR5 Q9H228 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ECE1 P42892 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2721141 0.85 TSHR (0.43) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL17022393 0.83 MEN1 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL20913712 0.83 MEN1 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL22589032 0.83 LTA4H (0.37) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL7191311 0.82 LMNA (0.38) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL720627 0.82 TSHR (0.62) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL31688609 0.82 LMNA (0.38) TSHRMEN1KMT2AALDH1A1LTA4H
SCHEMBL11327241 0.82 TSHR (0.40) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL17229458 0.80 SMN1; SMN2 (0.38) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL18882749 0.80 SMN1; SMN2 (0.38) TSHRMEN1KMT2AALDH1A1KDM4E

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 TSHR 4001/4885MAPK1 2232/4885MEN1 1363/4885

“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.