SCHEMBL2777301

SCHEMBL2777301

NCCCCCCCCOC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.79
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28093034 1.00 TDP1 (0.79) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL2778301 1.00 TDP1 (0.79) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL2777961 1.00 TDP1 (0.79) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL1410185 0.98 TDP1 (0.81) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL7292310 0.93 TDP1 (0.78) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL2069111 0.91 TDP1 (0.96) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL223238 0.91 TDP1 (0.96) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL17466182 0.91 TDP1 (0.96) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL11896606 0.91 TDP1 (0.96) TDP1LMNAALDH1A1NPC1RAB9A
SCHEMBL225815 0.91 TDP1 (0.96) TDP1LMNAALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
EP-2196451-A1 ACYLATION REACTION OF HYDROXYL GROUP Takasago International Corporation (JP) 2010-06-16 EP 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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM TDP1 4433/4885LMNA 4766/4885ALDH1A1 100/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM TDP1 4433/4885LMNA 4766/4885ALDH1A1 100/4885

“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.