SCHEMBL10820596

SCHEMBL10820596

CCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCC)CCn1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
TBXA2R P21731 2/20 0.47
TLR2 O60603 1/20 0.44
CYP19A1 P11511 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
DNM1 Q05193 1/20 0.41
EGLN3 Q9H6Z9 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
SCHEMBL12790507 0.94 TBXAS1 (0.52) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL10820623 0.94 TBXAS1 (0.52) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL22694998 0.93 TBXAS1 (0.46) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL22694999 0.89 TBXAS1 (0.44) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL22694995 0.89 TLR2 (0.45) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL22694959 0.88 TBXAS1 (0.48) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL47381 0.87 TBXAS1 (0.58) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL13755880 0.87 TBXAS1 (0.52) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL23845953 0.87 TLR2 (0.49) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R
SCHEMBL25747574 0.86 TBXAS1 (0.44) TBXAS1SMN1; SMN2HTTMAPK1TBXA2R

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 10 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-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
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US disclosed
EP-2476756-A1 Amine-containing lipids and uses thereof Massachusetts Institute of Technology (US) 2012-07-18 EP disclosed
US-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
WO-2009097332-A2 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2009-08-06 WO 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 (3 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-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB TBXAS1 1849/4885SMN1; SMN2 490/4885HTT 2441/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 TBXAS1 2547/4885SMN1; SMN2 1726/4885HTT 1524/4885
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 TBXAS1 2547/4885SMN1; SMN2 1726/4885HTT 1524/4885

“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.