SCHEMBL313825

SCHEMBL313825

O=Cc1cccc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP12 P39900 2/20 0.44
MMP1 P03956 1/20 0.44
TERT O14746 1/20 0.44

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
SCHEMBL22946291 0.86 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL1244820 0.81 TDP1 (0.57) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
Dipicolinic Acid SCHEMBL5611142 0.81 TDP1 (0.57) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL20083642 0.80 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL29030257 0.80 TDP1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL3698207 0.80 CYP1A2 (0.72) ALDH1A1MAPTPOLBCYP1A2TERT
SCHEMBL23119636 0.80 NPC1 (0.55) TERT
SCHEMBL17440931 0.79 ALDH1A1 (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21588491 0.79 ALDH1A1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL17485944 0.79 CYP1A2 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
EP-2079704-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-07-22 EP disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 US disclosed
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 WO disclosed
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 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 (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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL TDP1 96/4885KMT2A 1655/4885SLC6A2 3714/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 TDP1 103/4885KMT2A 1663/4885SLC6A2 3988/4885

“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.