SCHEMBL23911689

SCHEMBL23911689

O=C(O)c1c2cccc1c1ccc(cc1)c1ccc(cc1)c1cccc(c1C(=O)O)c1ccc(cc1)c1ccc2cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
HSD17B10 Q99714 4/20 0.64
MEN1 O00255 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 3/20 0.64
KMT2A Q03164 3/20 0.64
GLA P06280 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
CDC25B P30305 1/20 0.50
WDR5 P61964 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48

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
Naphthalene SCHEMBL1831655 0.81 WDR5 (0.66) KDM4EHSD17B10MEN1ALDH1A1HPGD
SCHEMBL344095 0.81 HSD17B10 (0.59) KDM4EHSD17B10MEN1ALDH1A1HPGD
SCHEMBL1661024 0.79 HSD17B10 (0.63) KDM4EHSD17B10MEN1ALDH1A1HPGD
SCHEMBL10783918 0.79 MEN1 (0.57) KDM4EHSD17B10MEN1ALDH1A1HPGD
Benzene SCHEMBL10558251 0.78 KDM4E (0.68) KDM4EHSD17B10MEN1ALDH1A1HPGD
SCHEMBL70004 0.78 KDM4E (0.68) KDM4EHSD17B10MEN1ALDH1A1HPGD
SCHEMBL29599456 0.78 KDM4E (0.68) KDM4EHSD17B10MEN1ALDH1A1HPGD
Anthracene-9-Carboxylic Acid SCHEMBL122832 0.78 MEN1 (1.00) KDM4EHSD17B10MEN1ALDH1A1HPGD
Anthracene-9-Carboxylic Acid SCHEMBL29352186 0.78 MEN1 (1.00) KDM4EHSD17B10MEN1ALDH1A1HPGD
SCHEMBL1809752 0.78 HSD17B10 (0.61) KDM4EHSD17B10MEN1ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142500-B2 Nanohoop compound embodiments comprising meta-substitution and molecular systems comprising the same UNIVERSITY OF OREGON (US) 2021-10-12 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-11142500-B2 Nanohoop compound embodiments comprising meta-substitution and molecular systems comprising the same MYC, KRAS, NRAS KDM4E 2329/4885HSD17B10 4311/4885MEN1 145/4885

“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.