SCHEMBL5485053

SCHEMBL5485053

C=Cc1ccc(C(=O)OC)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.53
ALDH1A1 P00352 11/20 0.53
HSD17B10 Q99714 5/20 0.53
HPGD P15428 5/20 0.53
MAPT P10636 4/20 0.53
ATM Q13315 3/20 0.53
GLA P06280 3/20 0.53
GAA P10253 3/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL607301 0.86 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL7014396 0.84 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL879847 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL29732495 0.83 CA1 (0.62) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL15563640 0.83 CA1 (0.62) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL23292610 0.81 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL15338330 0.81 GAA (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL27892855 0.81 PLA2G2A (0.45) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL16008419 0.81 ABL1 (0.54) KDM4EALDH1A1HPGDMAPTGLA
SCHEMBL4129101 0.81 CA1 (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT

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
CN-103002735-B Modulators of 5-ht receptors and methods of use thereof ABBVI CO 2015-05-20 CN disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-20050171065-A1 NAALADas, N-Acetylated-Alpha-Linked-Acidic-Dipeptidase inhibitors; 5-phosphonomethyl-1,3-benzenedicarboxylic Acid; glutamate abnormalities, anticancer, antidiabetic agent, angiogenesis inhibitor, neuropathy, pain, compulsive disorders, prostate diseases, glaucoma GUILFORD PHARMACEUTICALS INC. 2005-08-04 US disclosed
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease GUILFORD PHARMACEUTICALS INC. 2005-04-14 US disclosed
US-6852750-B2 Benzenedicarboxylic acid derivatives GUILFORD PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors EISAI INC. 2003-05-01 US disclosed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US disclosed
US-6452044-B2 NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-09-17 US disclosed
US-20020019430-A1 Nervous system and psychological disorders EISAI INC. 2002-02-14 US disclosed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US disclosed
WO-2001092273-A2 BENZENEDICARBOXYLIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 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 (6 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-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis SMN1; SMN2, GAA, NAALAD2 KDM4E 1863/4885ALDH1A1 814/4885HSD17B10 1572/4885
US-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors NGF, GAP43, ACHE KDM4E 4182/4885ALDH1A1 110/4885HSD17B10 2186/4885
US-20050080139-A1 Naaladase inhibitors for treating huntington's disease HTT, GAA, ADA KDM4E 2554/4885ALDH1A1 944/4885HSD17B10 418/4885
US-20050171065-A1 NAALADas, N-Acetylated-Alpha-Linked-Acidic-Dipeptidase inhibitors; 5-phosphonomethyl-1,3-benzenedicarboxylic Acid; glutamate abnormalities, anticancer, antidiabetic agent, angiogenesis inhibitor, neuropathy, pain, compulsive disorders, prostate diseases, glaucoma NAALAD2, GLUL, DNPEP KDM4E 3314/4885ALDH1A1 117/4885HSD17B10 1053/4885
US-20020019430-A1 Nervous system and psychological disorders GLUL, DDC, DNPEP KDM4E 2369/4885ALDH1A1 228/4885HSD17B10 965/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A KDM4E 2355/4885ALDH1A1 198/4885HSD17B10 622/4885

“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.