SCHEMBL20565392

SCHEMBL20565392

COCCOCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.47
RARA P10276 2/20 0.47
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
GPR55 Q9Y2T6 1/20 0.40
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
RAB9A P51151 1/20 0.37
HIF1A Q16665 3/20 0.35
EPAS1 Q99814 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5888206 0.81 RARA (0.56) IKBKBRARAKMT2AMEN1ALDH1A1
SCHEMBL6033341 0.78 IKBKB (0.49) IKBKBRARAKMT2AMEN1ALDH1A1
SCHEMBL22321021 0.74 RARA (0.44) IKBKBRARAKMT2AMEN1ALDH1A1
SCHEMBL30746817 0.74 RARA (0.44) IKBKBRARAKMT2AMEN1ALDH1A1
SCHEMBL8570459 0.74 RARA (0.55) IKBKBRARAKMT2AMEN1LMNA
SCHEMBL8572145 0.74 RARA (0.55) IKBKBRARAKMT2AMEN1LMNA
SCHEMBL7689456 0.74 IKBKB (0.49) IKBKBRARAKMT2AMEN1ALDH1A1
SCHEMBL5888286 0.73 RARA (0.64) IKBKBRARAKMT2AMEN1ALDH1A1
SCHEMBL20790232 0.72 MAOA (0.42) KMT2AMEN1ALDH1A1LMNAGPR55
SCHEMBL20565375 0.72 IKBKB (0.48) IKBKBRARAKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195424-B2 Antibiotic compounds THE GENERAL HOSPITAL CORPORATION (US) 2025-01-14 US disclosed
US-20220095614-A1 Antibiotic Compounds THE GENERAL HOSPITAL CORPORATION 2022-03-31 US disclosed
US-11278025-B2 Antibiotic compounds THE GENERAL HOSPITAL CORPORATION (US) 2022-03-22 US disclosed
US-20200190009-A1 Antibiotic Compounds TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-06-18 US disclosed
WO-2018213609-A1 ANTIBIOTIC COMPOUNDS AUSUBEL FREDERICK M (US) 2018-11-22 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 (4 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-20200190009-A1 Antibiotic Compounds CUTA, NRDC, CLPP IKBKB 2203/4885RARA 30/4885KMT2A 4368/4885
US-20220095614-A1 Antibiotic Compounds CUTA, NRDC, CLPP IKBKB 2203/4885RARA 30/4885KMT2A 4368/4885
US-12195424-B2 Antibiotic compounds CUTA, NRDC, CLPP IKBKB 2203/4885RARA 30/4885KMT2A 4368/4885
US-11278025-B2 Antibiotic compounds CUTA, NRDC, CLPP IKBKB 2203/4885RARA 30/4885KMT2A 4368/4885

“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.