SCHEMBL1163684

SCHEMBL1163684

O=C(O)CCCCCCCCCCCCCCCCSS

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
LMNA P02545 3/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
GPR84 Q9NQS5 8/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
FOLH1 Q04609 1/20 0.50
GSTK1 Q9Y2Q3 1/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
FABP4 P15090 2/20 0.48

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
SCHEMBL3716560 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1673084 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9238670 1.00 TSHR (0.60) TSHRLMNANFKB1PMP22GPR84
SCHEMBL94566 0.90
SCHEMBL5168783 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
SCHEMBL13855529 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7687851 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
SCHEMBL20475058 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7693275 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1163681 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012057751-A1 CROSSLINKED CELLULOSIC POLYMERS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2012-05-03 WO claimed
US-20190209697-A1 CELLS LABELLED WITH LIPID CONJUGATES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-11 US disclosed
EP-3370764-A1 CELLS LABELLED WITH LIPID CONJUGATES AND METHODS OF USE THEREOF The Regents of The University of California (US) 2018-09-12 EP disclosed
WO-2017079419-A1 CELLS LABELLED WITH LIPID CONJUGATES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-11 WO disclosed
US-8637468-B2 Synthetic cholesterylamine-linker derivatives for agent delivery into cells THE UNIVERSITY OF KANSAS (US) 2014-01-28 US disclosed
US-20130142763-A1 CROSSLINKED CELLULOSIC POLYMERS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-06-06 US disclosed
US-20120208771-A1 SYNTHETIC CHOLESTERYLAMINE-LINKER DERIVATIVES FOR AGENT DELIVERY INTO CELLS THE PENN STATE RESEARCH FOUNDATION (US) 2012-08-16 US disclosed
WO-2012057751-A1 CROSSLINKED CELLULOSIC POLYMERS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2012-05-03 WO disclosed
WO-2011019942-A2 SYNTHETIC CHOLESTERYLAMINE-LINKER DERIVATIVES FOR AGENT DELIVERY INTO CELLS UNIVERSITY OF KANSAS (US) 2011-02-17 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 (2 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-20190209697-A1 CELLS LABELLED WITH LIPID CONJUGATES AND METHODS OF USE THEREOF NPC1L1, CETP, LIPA TSHR 3346/4885LMNA 121/4885NFKB1 3538/4885
US-20120208771-A1 SYNTHETIC CHOLESTERYLAMINE-LINKER DERIVATIVES FOR AGENT DELIVERY INTO CELLS NPC1L1, CETP, CYP46A1 TSHR 3260/4885LMNA 339/4885NFKB1 3736/4885

“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.