SCHEMBL6842407

SCHEMBL6842407

Cc1ccccc1C(=O)C(O)[C@H]1O[C@@H](Cl)C[C@@]1(O)C(=O)c1ccccc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.33
CTNNB1 P35222 2/20 0.32
WNT3A P56704 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MGLL Q99685 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CD O00329 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5707587 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL2907033 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL8960840 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL3395341 0.87 HTT (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL4750928 0.85 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL4982728 0.84 P2RX7 (0.32) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL5707632 0.84 P2RX7 (0.32) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL5707571 0.84 P2RX7 (0.32) SLC6A2SLC6A4SLC6A3P2RX7HTT
SCHEMBL4411815 0.79 CTNNB1 (0.32) P2RX7HTTCTNNB1WNT3AALDH1A1
SCHEMBL4986617 0.79 NPC1 (0.33) SLC6A2SLC6A4SLC6A3P2RX7HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6764829-B2 DETECTING PARASITES USING CHROMOGENIC SUBSTRATES; OBTAIN SAMPLE, INCUBATE WITH CHROMGENIC SUBSTRATE, DETECT FORMATION OF CHROMOPHORE PRODUCT ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2004-07-20 US disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
US-20020132263-A1 Enzyme detection/assay method and substrates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US disclosed
US-6379911-B2 ANALYZING NUCLEOSIDE HYDROLASES; DETECTING PARASITES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2002-04-30 US disclosed
US-20010019823-A1 ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-06 US disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed
EP-0604409-A4 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION. ISIS PHARMACEUTICALS INC (US) 1996-06-12 EP disclosed
EP-0604409-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1994-07-06 EP disclosed
WO-1991010671-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1991-07-25 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-20010019823-A1 ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES PNP, TREH, XDH SLC6A2 1387/4885SLC6A4 2161/4885SLC6A3 2696/4885

“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.