SCHEMBL24775249

SCHEMBL24775249

CC(O)c1ccc(C2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ESR2 Q92731 11/20 0.44
APP P05067 1/20 0.41
ESR1 P03372 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NAAA Q02083 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
ACACB O00763 1/20 0.37
HPGD P15428 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
SCHEMBL17556987 0.94 ALDH1A1 (0.53) ALDH1A1ESR2APPNAAAHDAC1
SCHEMBL10370708 0.94 ALDH1A1 (0.53) ALDH1A1ESR2APPNAAAHDAC1
SCHEMBL24214590 0.91 ESR2 (0.47) ALDH1A1ESR2APPESR1CYP3A4
SCHEMBL19189535 0.83 ALDH1A1 (0.49) ALDH1A1ESR2APPESR1CYP3A4
SCHEMBL11437886 0.82 SLC18A3 (0.52) ALDH1A1
SCHEMBL23039947 0.82 ALDH1A1 (0.43) ALDH1A1ESR2APPNOS3NOS1
SCHEMBL8053564 0.81 QDPR (0.53) ALDH1A1ESR2ESR1HDAC1HDAC8
SCHEMBL18702848 0.78 NOS3 (0.36) ALDH1A1ESR2NOS3NOS1HPGD
SCHEMBL11213083 0.77 HPGD (0.50) ALDH1A1APPNAAAHDAC1HDAC8
SCHEMBL5886587 0.76 ESR2 (0.56) ESR2ESR1CYP3A4CYP2D6CYP2C9

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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
WO-2022257961-A1 BENZOHETEROCYCLIC COMPOUND FOR TREATING EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO 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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML ALDH1A1 4846/4885ESR2 784/4885APP 4142/4885

“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.