SCHEMBL1079494

SCHEMBL1079494

Cc1c(C=O)[nH]c(Cl)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.33
VDR P11473 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
ALK Q9UM73 1/20 0.32
TYMP P19971 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
NOTUM Q6P988 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL394139 0.82 ALDH1A1 (0.46) ALDH1A1POLBKMT2ARAB9ACYP3A4
SCHEMBL1077379 0.79 ALDH1A1 (0.62) ALDH1A1POLBKMT2ARAB9AMAPT
SCHEMBL5403308 0.74 LMNA (0.45) ALDH1A1POLBKMT2ARAB9ACYP3A4
SCHEMBL13303521 0.72 ALDH1A1 (0.39) ALDH1A1POLBKMT2ARAB9ACYP3A4
SCHEMBL13488605 0.71 TYMP (0.31) ALDH1A1POLBKMT2AMAPTTYMP
SCHEMBL29952423 0.69 ALDH1A1 (0.43) ALDH1A1POLBKMT2ACYP3A4MAPT
SCHEMBL11307800 0.69 CYP1A2 (0.57) ALDH1A1POLBKMT2ARAB9ACYP3A4
SCHEMBL18656646 0.68 ALDH1A1 (0.39) ALDH1A1POLBKMT2ARAB9ACYP3A4
SCHEMBL1080599 0.68 ALDH1A1 (0.46) ALDH1A1POLBKMT2ARAB9ACYP3A4
SCHEMBL7059773 0.67 RAB9A (0.42) ALDH1A1RAB9AMAPTALKFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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 (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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 ALDH1A1 1159/4885POLB 1828/4885KMT2A 3985/4885

“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.