SCHEMBL5969971

SCHEMBL5969971

O=C(CCCCCOCCCCc1ccccc1)OCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.62
▸ MAPT P10636 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ FAAH O00519 3/20 0.54
▸ CES1 P23141 3/20 0.54
▸ FFAR1 O14842 1/20 0.54
▸ LPAR1 Q92633 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALOX5 P09917 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ MGLL Q99685 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7781081 0.95 TDP1 (0.68) TDP1MAPTRXFP1FAAHCES1
SCHEMBL1788500 0.95 TDP1 (0.68) TDP1MAPTRXFP1FAAHCES1
SCHEMBL28574865 0.91 MAPT (0.72) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL1681599 0.91 MAPT (0.72) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL1788501 0.91 MAPT (0.72) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL28587263 0.91 MAPT (0.72) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL19643833 0.90 TDP1 (0.70) TDP1MAPTRXFP1FFAR1LMNA
SCHEMBL7284783 0.89 TDP1 (0.60) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL8868323 0.89 TDP1 (0.60) TDP1MAPTRXFP1FFAR1LPAR1
SCHEMBL7292076 0.89 TDP1 (0.60) TDP1MAPTRXFP1FFAR1LPAR1

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-20060128608-A1 Novel chemical compounds and their use BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2006-06-15 — — US disclosed
WO-2004050677-A1 NOVEL CHEMICAL COMPUNDS AND THEIR USE BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2004-06-17 — — 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 (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-20060128608-A1 Novel chemical compounds and their use PGLS, ABCG2, UGCG TDP1 3631/4885MAPT 3254/4885RXFP1 3905/4885

“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.

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