SCHEMBL23337307

SCHEMBL23337307

O=C(O)c1nccc(Oc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
KMO O15229 5/20 0.43
MAPK8 P45983 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
LOXL2 Q9Y4K0 3/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK10 P53779 1/20 0.41
LOX P28300 1/20 0.41
ALOX15 P16050 1/20 0.40
CES1 P23141 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL31163801 0.84 TDP1 (0.51) MAPK8ALDH1A1KDRMAPK10
SCHEMBL7071615 0.83 KMO (0.41) KMOMAPK8MEN1KMT2A
SCHEMBL8721027 0.80 KMO (0.60) KMOALDH1A1KDR
SCHEMBL17673011 0.77 ALKBH1 (0.55) FFAR1MEN1KMT2ASRD5A2
SCHEMBL7041105 0.77 HTT (0.50) MAPK8ALDH1A1HTTLOXL2MEN1
SCHEMBL7041110 0.77 ALDH1A1 (0.46) ALDH1A1HTTLOXL2MEN1KMT2A
SCHEMBL2723992 0.77 KMO (0.50) FFAR1KMOALDH1A1
SCHEMBL4272019 0.74 ALDH1A1 (0.47) MAPK8ALDH1A1HTTLOXL2MEN1
SCHEMBL30748867 0.74 AURKA (0.52) MAPK8ALDH1A1KDRMEN1KMT2A
SCHEMBL190518 0.74 PLAAT3 (0.48) ALDH1A1HTTLOXL2MEN1KMT2A

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-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-09-23 US disclosed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP 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-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, RIPK1, RIPK2 FFAR1 497/4885KMO 4469/4885MAPK8 117/4885

“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.