SCHEMBL6844452

SCHEMBL6844452

Cc1ccccc1C(=O)C(O)[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@]1(O)C(=O)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.32
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 6/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
EPHX2 P34913 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4982728 0.81 P2RX7 (0.32) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL5707571 0.81 P2RX7 (0.32) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL5707632 0.81 P2RX7 (0.32) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL4750928 0.80 SLC6A2 (0.31) ALDH1A1HTT
SCHEMBL6843109 0.78 AR (0.44) ALDH1A1GAANPC1MAPTKDM4E
SCHEMBL8960840 0.77 SLC6A2 (0.33) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL6842407 0.77 SLC6A2 (0.33) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL5707587 0.77 SLC6A2 (0.33) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL2907033 0.77 SLC6A2 (0.33) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL3395341 0.76 HTT (0.33) ALDH1A1NPC1RAB9AMAPTHTT

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 4 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
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

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 ALDH1A1 2151/4885GAA 86/4885NPC1 3012/4885

“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.