SCHEMBL2623707

SCHEMBL2623707

C/C=C(/C)C(=O)OC1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)CC(OC(=O)CCc1ccc(O)c(CCCCCNC(=O)OC(C)(C)C)c1)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
HPGD P15428 2/20 0.67
POLB P06746 2/20 0.67
MAPK1 P28482 2/20 0.67
KMT2A Q03164 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MEN1 O00255 1/20 0.67
GMNN O75496 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
GLA P06280 1/20 0.67
GAA P10253 1/20 0.67
APEX1 P27695 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ATP2A1 O14983 1/20 0.67
MTOR P42345 1/20 0.67

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
SCHEMBL15865523 0.93 MAPT (0.78) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL2623708 0.93 MAPT (0.65) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL2623704 0.92 MAPT (0.63) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL17381105 0.91 MAPT (0.81) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL2623706 0.90 MAPT (0.74) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL15865590 0.88 MAPT (0.62) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL7912119 0.88 MAPT (0.49) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL17483574 0.87 MAPT (0.82) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL15865592 0.85 MAPT (0.46) MAPTHPGDPOLBMAPK1KMT2A
SCHEMBL2623709 0.83 MAPT (0.65) MAPTHPGDPOLBMAPK1KMT2A

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-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-8772226-B2 Methods and compositions for the detection of cancer THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 US disclosed
US-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-19 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-20120093724-A1 METHODS AND COMPOSITIONS FOR THE DETECTION OF CANCER KLK3, KLK2, KLK5 MAPT 2813/4885HPGD 288/4885POLB 4273/4885

“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.