SCHEMBL1683257

SCHEMBL1683257

C[C@H](O)[C@H](CO)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITPR1 Q14643 1/20 0.40
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
NPY1R P25929 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.36
FAAH O00519 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
HCRTR1 O43613 1/20 0.35
DEGS1 O15121 1/20 0.35
CYP2C19 P33261 1/20 0.34

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
SCHEMBL15336426 0.86 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL22722199 0.84 KMT2A (0.59) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL17875396 0.78 KMT2A (0.63) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL19786485 0.77 KMT2A (0.67) KMT2AMEN1KDM4EALDH1A1ITPR1
SCHEMBL12177611 0.77 ALDH1A1 (0.48) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL24425463 0.76 KMT2A (0.65) KMT2AMEN1KDM4EALDH1A1L3MBTL1
Methyl Alcohol SCHEMBL28963160 0.76 KMT2A (0.65) KMT2AMEN1KDM4EALDH1A1ITPR1
SCHEMBL1714410 0.76 KMT2A (0.68) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL6282093 0.76 KMT2A (0.68) KMT2AMEN1KDM4EALDH1A1ITPR1
SCHEMBL29369373 0.76 KMT2A (0.68) KMT2AMEN1KDM4EALDH1A1L3MBTL1

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
US-20210187112-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2021-06-24 US disclosed
US-10953105-B2 Immunostimulatory compositions and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-23 US disclosed
US-20190015522-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-01-17 US disclosed
US-10029016-B2 Immunostimulatory compositions and methods of use thereof MASSACHUSETTS INSITUTE OF TECHNOLOGY (US) 2018-07-24 US disclosed
US-20160095936-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-04-07 US disclosed
US-9107904-B2 Immunostimulatory compositions and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-08-18 US disclosed
US-20130295129-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-11-07 US disclosed
US-20120087949-A1 OLIGONUCLEOTIDE MICELLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-12 US disclosed
WO-2010071852-A2 OLIGONUCLEOTIDE MICELLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-24 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 (7 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-10953105-B2 Immunostimulatory compositions and methods of use thereof PHOSPHO1, MYD88, CD47 KMT2A 4569/4885MEN1 3117/4885KDM4E 4553/4885
US-10029016-B2 Immunostimulatory compositions and methods of use thereof PHOSPHO1, MYD88, CD47 KMT2A 4569/4885MEN1 3117/4885KDM4E 4553/4885
US-20130295129-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF PHOSPHO1, MYD88, CD47 KMT2A 4569/4885MEN1 3117/4885KDM4E 4553/4885
US-20120087949-A1 OLIGONUCLEOTIDE MICELLES POLRMT, MICA, HLA-DRB1 KMT2A 3744/4885MEN1 399/4885KDM4E 4769/4885
US-20210187112-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF PHOSPHO1, MYD88, CD47 KMT2A 4569/4885MEN1 3117/4885KDM4E 4553/4885
US-20160095936-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF PHOSPHO1, MYD88, CD47 KMT2A 4569/4885MEN1 3117/4885KDM4E 4553/4885
US-20190015522-A1 IMMUNOSTIMULATORY COMPOSITIONS AND METHODS OF USE THEREOF PHOSPHO1, MYD88, CD47 KMT2A 4569/4885MEN1 3117/4885KDM4E 4553/4885

“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.