SCHEMBL20046984

SCHEMBL20046984

O=C(c1cccc(Cl)c1)N1CCc2cc(Br)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
AKR1C3 P42330 1/20 0.48
ABHD6 Q9BV23 1/20 0.48
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8233979 0.85 HPGD (0.71) PDE4BALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8242223 0.85 PDE4B (0.57) PDE4BALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8243015 0.82 PDE4B (0.56) PDE4BALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13912857 0.82 CA1 (0.62) PDE4BAKR1C3ABHD6KMT2ACA1
SCHEMBL20439780 0.80 HPGD (0.59) PDE4BALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8240427 0.80 PDE4B (0.57) PDE4BALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL20046991 0.80 MAPK1 (0.51) ALDH1A1HPGDSMN1; SMN2HTTTP53
SCHEMBL30267796 0.79 PDE4B (0.80) PDE4BALDH1A1NPC1RAB9APKM
SCHEMBL30267843 0.79 PDE4B (0.80) PDE4BALDH1A1NPC1RAB9APKM
SCHEMBL7894613 0.79 PDE4B (0.80) PDE4BALDH1A1NPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746097-B2 LXR inverse agonists for treatment of cancer SAINT LOUIS UNIVERSITY (US) 2023-09-05 US disclosed
US-11746097-B2 LXR inverse agonists for treatment of cancer SAINT LOUIS UNIVERSITY (US) 2023-09-05 US disclosed
US-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2020-10-01 US disclosed
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 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 (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-20200308135-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER NR1H2, NR1H3, PPARD PDE4B 894/4885ALDH1A1 2432/4885HPGD 941/4885
US-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD PDE4B 894/4885ALDH1A1 2432/4885HPGD 941/4885

“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.