SCHEMBL7054656

SCHEMBL7054656

CCC(CO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.44
TNF P01375 4/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL15241103 1.00 TDP1 (0.46) TDP1LMNAALDH1A1GAATNF
SCHEMBL15240556 1.00 TDP1 (0.46) TDP1LMNAALDH1A1GAATNF
SCHEMBL16414776 0.88 LMNA (0.50) TDP1LMNAALDH1A1GAATNF
SCHEMBL6364898 0.88 TDP1 (0.52) TDP1LMNAALDH1A1GAATNF
SCHEMBL701159 0.86 ALDH1A1 (0.44) TDP1LMNAALDH1A1GAATNF
SCHEMBL16601646 0.85 KDM4E (0.41) TDP1LMNAALDH1A1GAATNF
SCHEMBL15537671 0.83 TNF (0.46) TDP1LMNAALDH1A1GAATNF
SCHEMBL701650 0.82 ALDH1A1 (0.52) TDP1LMNAALDH1A1GAATP53
SCHEMBL701651 0.82 ALDH1A1 (0.52) TDP1LMNAALDH1A1GAATP53
SCHEMBL15240826 0.82 ALDH1A1 (0.52) TDP1LMNAALDH1A1GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295440-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY 2023-09-21 US disclosed
EP-3044226-B1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-06 EP disclosed
EP-3044226-B1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-06 EP disclosed
US-20160222021-A1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-04 US disclosed
EP-3044226-A1 ARYL ETHER-BASE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-07-20 EP disclosed
EP-2822952-B1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-06 EP disclosed
WO-2015038112-A1 ARYL ETHER-BASE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-19 WO disclosed
US-8969564-B2 Aryl ether-base kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 US disclosed
US-20140179725-A1 Aryl Ether-Base Kinase Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-26 US disclosed
US-8703953-B2 Aryl ether-base kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-22 US disclosed
US-20130237555-A1 Aryl Ether-Base Kinase Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-12 US disclosed
WO-2003018789-A1 ESTERASE EST4B1 OBTAINED FROM BACILLUS SUBTILIS DEGUSSA AG (DE) 2003-03-06 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 (3 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-20140179725-A1 Aryl Ether-Base Kinase Inhibitors AAK1, NCK1, ADCK1 TDP1 1874/4885LMNA 3331/4885ALDH1A1 3028/4885
US-20160222021-A1 ARYL ETHER-BASE KINASE INHIBITORS AAK1, NCK1, ADCK1 TDP1 1874/4885LMNA 3331/4885ALDH1A1 3028/4885
US-20130237555-A1 Aryl Ether-Base Kinase Inhibitors AAK1, NCK1, ADCK1 TDP1 1874/4885LMNA 3331/4885ALDH1A1 3028/4885

“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.