SCHEMBL7104073

SCHEMBL7104073

CC=CC=CCc1cc([N+](=O)[O-])ccc1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7104075 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTHPGDPTGDR2
SCHEMBL7104071 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTHPGDPTGDR2
SCHEMBL7603982 0.81 MEN1 (0.46) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL7603981 0.81 MEN1 (0.46) ALDH1A1MAPTHPGDPTGDR2CYP1A2
SCHEMBL28102381 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDPTGDR2
Ethane SCHEMBL668960 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTHPGDPTGDR2
SCHEMBL32662599 0.79 CYP1A2 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDPTGDR2
SCHEMBL7604820 0.78 HPGD (0.35) ALDH1A1MAPTHPGDCYP1A2MEN1
SCHEMBL7604823 0.78 HPGD (0.35) ALDH1A1MAPTHPGDCYP1A2MEN1
SCHEMBL8391721 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTHPGDPTGDR2

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-20030099945-A1 Parallel selex INVENUX, INC. (US) 2003-05-29 US disclosed
US-6048698-A PRODUCING PRODUCTS BY BOND FORMATION OF A REACTANT BOUND TO NUCLEIC ACID AND A FREE REACTANT, THEN CONTACTING PRODUCT LIBRARY WITH TARGET TO PARTITION PRODUCTS BY ABILITY TO PERFORM PRESELECTED FUNCTION NEXSTAR PHARMACEUTICALS, INC. (US) 2000-04-11 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-20030099945-A1 Parallel selex SELE, MTREX, NSUN3 ALDH1A1 1312/4885SMN1; SMN2 723/4885MAPT 3383/4885

“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.