SCHEMBL16638655

SCHEMBL16638655

CNC(=O)CCNC(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
CNR1 P21554 1/20 0.43
ADRA1A P35348 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCC3 O15438 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.32
MCL1 Q07820 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
SCHEMBL3537671 0.77 LMNA (0.44) LMNAPOLBMCL1
SCHEMBL19876852 0.75 LMNA (0.42) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL13979041 0.73 LMNA (0.41) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL3542942 0.72 LMNA (0.40) LMNATDP1KDM4ESMN1; SMN2
SCHEMBL22622460 0.71 LMNA (0.52) LMNAKDM4EPOLBMCL1
SCHEMBL464448 0.71
SCHEMBL12942607 0.69 LMNA (0.38) LMNAPOLB
SCHEMBL3660629 0.69 LMNA (0.63) LMNATDP1KDM4EPOLBMCL1
SCHEMBL12791478 0.69 LMNA (0.50) LMNAKDM4EPOLBMCL1
Hydrochloric Acid SCHEMBL11654825 0.69

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 LMNA 402/4885CNR1 2406/4885ADRA1A 2328/4885

“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.