SCHEMBL7104071

SCHEMBL7104071

C/C=C/C=C/Cc1cc([N+](=O)[O-])ccc1OC(=O)Oc1ccc([N+](=O)[O-])cc1C/C=C/C=C/C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
GRK2 P25098 1/20 0.35
S100A4 P26447 1/20 0.35

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
SCHEMBL7104073 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7104075 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL7603979 0.80 MEN1 (0.47) ALDH1A1RAB9AMEN1KMT2AHPGD
SCHEMBL5492543 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL8391718 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL20299852 0.76 BCL9 (0.46) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2995971 0.76 CYP1A2 (0.42) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2993623 0.76 RAB9A (0.47) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7465971 0.75 RAB9A (0.41) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7518128 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A

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 723/4885RAB9A 3741/4885

“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.