SCHEMBL4524473

SCHEMBL4524473

CCOc1ccc2ccccc2c1C(=O)CBr

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ AVPR1A P37288 2/20 0.52
▸ CXCR5 P32302 1/20 0.52
▸ AVPR1B P47901 1/20 0.52
▸ TP53 P04637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PTPN1 P18031 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HCRTR1 O43613 4/20 0.47
▸ HCRTR2 O43614 4/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ HPGDS O60760 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
SCHEMBL18494109 0.87 GAA (0.56) ALDH1A1L3MBTL1PTPN1
SCHEMBL4834504 0.87 ALDH1A1 (0.57) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL4529848 0.85 HPGDS (0.59) ALDH1A1LMNAPTPN1KDM4EHPGDS
SCHEMBL11671935 0.85 ALDH1A1 (0.59) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL503962 0.83 ALDH1A1 (0.61) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL30393029 0.83 ALDH1A1 (0.61) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL4539589 0.83 ALDH1A1 (0.60) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL4524352 0.83 MAPT (0.55) ALDH1A1LMNARAB9AAVPR1AAVPR1B
SCHEMBL13209664 0.82 MRE11 (0.43) ALDH1A1LMNATSHRRAB9AHSD17B10
SCHEMBL13447246 0.82 ALDH1A1 (0.59) ALDH1A1LMNATSHRRAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 — — US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 — — US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 — — US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 — — US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 — — US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 — — US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 — — EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 — — US disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 — — EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 — — US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 — — 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 (3 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B ALDH1A1 1363/4885LMNA 3744/4885TSHR 191/4885
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B ALDH1A1 2700/4885LMNA 4134/4885TSHR 71/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C ALDH1A1 974/4885LMNA 3528/4885TSHR 185/4885

“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.

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