SCHEMBL4301352

SCHEMBL4301352

O=C(CCCCCCCCCCC(=O)OCC(CBr)OC(=O)CCCCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.60
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TLR2 O60603 4/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
EPHX2 P34913 1/20 0.43

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
SCHEMBL4255720 0.90 ALDH1A1 (0.54) LPAR1ALDH1A1LMNATLR2MAPK1
SCHEMBL31752535 0.85 HTT (0.51) LPAR1ALDH1A1LMNATLR2MAPK1
SCHEMBL4285855 0.85 ALDH1A1 (0.49) LPAR1ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL19300948 0.85 ALDH1A1 (0.68) LPAR1ALDH1A1LMNATLR2PRKCA
SCHEMBL20793332 0.84 ALDH1A1 (0.54) LPAR1ALDH1A1LMNATLR2MAPK1
SCHEMBL4078739 0.84 MAPK1 (0.48) ALDH1A1LMNATLR2MAPK1PRKCA
SCHEMBL4077674 0.84 ALDH1A1 (0.48) LPAR1ALDH1A1LMNATLR2MGLL
SCHEMBL24677830 0.81 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1L3MBTL1MGLL
SCHEMBL5386843 0.81 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1L3MBTL1MGLL
SCHEMBL318699 0.81 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1L3MBTL1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2009-09-03 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-20090221684-A1 Molecules for Gene Delivery and Gene Therapy, and Methods of Use Thereof ANXA6, STING1, ADM2 LPAR1 1907/4885ALDH1A1 2863/4885LMNA 967/4885

“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.