SCHEMBL1786027

SCHEMBL1786027

Cc1c(C=O)c(C)n(O)c1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 4/20 0.44
HPGD P15428 1/20 0.44
AR P10275 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
STAT1 P42224 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1785133 0.80 KMT2A (0.46) KMT2AALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL1787283 0.76 MAPT (0.45) KMT2ATDP1ALDH1A1LMNARAB9A
SCHEMBL20154185 0.72 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20154166 0.70 KMT2A (0.54) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20154183 0.69 RAB9A (0.51) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL8911150 0.69 RAB9A (0.57) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL31643746 0.69 RAB9A (0.48) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL17965761 0.69 TDP1 (0.61) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL2707500 0.69 TDP1 (0.49) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL14002494 0.68 KMT2A (0.49) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273901-B2 Process of forming a pyrrole compound Nanyang Technical University (SG) 2012-09-25 US disclosed
US-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-05-26 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-20110124881-A1 PROCESS OF FORMING A PYRROLE COMPOUND OXER1, OGDH, OPRD1 KMT2A 1604/4885TDP1 4779/4885SLC6A2 3364/4885

“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.