SCHEMBL31327833

SCHEMBL31327833

O=c1c(-c2ccccc2)coc2cc(F)c(F)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
SMN1; SMN2 Q16637 10/20 0.61
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
KDM4E B2RXH2 6/20 0.61
POLB P06746 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 8/20 0.57
HPGD P15428 6/20 0.57
TP53 P04637 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CYP3A4 P08684 4/20 0.57
GAA P10253 3/20 0.53
MAPK1 P28482 3/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
STAT1 P42224 1/20 0.53
CASP3 P42574 1/20 0.53

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
SCHEMBL8211 0.83 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11082015 0.81 ALOX12 (0.77) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoflavone SCHEMBL6290885 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoflavone SCHEMBL6542422 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoflavone SCHEMBL8028 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoflavone SCHEMBL31264756 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5275289 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL23278859 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
7-Hydroxy Isoflavone SCHEMBL762528 0.76 KDM4E (1.00) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL14994916 0.76 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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-12252473-B2 Preparation methods of quinolone compounds and intermediates thereof Chongqing University of Arts and Sciences (CN) 2025-03-18 US disclosed
US-20240400522-A1 PREPARATION METHODS OF QUINOLONE COMPOUNDS AND INTERMEDIATES THEREOF Chongqing University of Arts and Sciences (CN) 2024-12-05 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 (2 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-20240400522-A1 PREPARATION METHODS OF QUINOLONE COMPOUNDS AND INTERMEDIATES THEREOF NQO2, MRPL21, RECQL ALDH1A1 1217/4885SMN1; SMN2 4049/4885NPC1 1905/4885
US-12252473-B2 Preparation methods of quinolone compounds and intermediates thereof NQO2, MRPL21, RECQL ALDH1A1 1217/4885SMN1; SMN2 4049/4885NPC1 1905/4885

“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.