SCHEMBL16638649

SCHEMBL16638649

CCCCCCCCCCCCCCCCN[C@@H](O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.43
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
XBP1 P17861 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GBA1 P04062 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL16390247 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL16389897 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL16390572 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL2236239 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL16390218 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL381606 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL16390287 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL9016915 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL16390227 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL16389976 1.00 EPHX1 (0.46) EPHX1ALDH1A1KDM4ETSHRADH1B

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 EPHX1 914/4885ALDH1A1 1430/4885KDM4E 2172/4885

“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.