SCHEMBL16810359

SCHEMBL16810359

NC(=O)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.73
▸ ESR2 Q92731 1/20 0.73
▸ CYP1B1 Q16678 1/20 0.70
▸ MAPT P10636 3/20 0.65
▸ MAOB P27338 3/20 0.65
▸ MAOA P21397 1/20 0.65
▸ MEN1 O00255 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ TLR9 Q9NR96 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PTPN1 P18031 1/20 0.59
▸ F3 P13726 2/20 0.58
▸ P4HB P07237 1/20 0.56
▸ TNFRSF1A P19438 1/20 0.56

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
SCHEMBL1659832 0.91 ESR1 (0.86) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL1659833 0.91 ESR1 (0.86) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL10439486 0.87 ESR1 (0.53) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL3056503 0.86 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL3048575 0.86 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL3056506 0.86 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL3048572 0.86 ESR1 (0.73) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL17694974 0.86 ESR1 (0.77) ESR1ESR2CYP1B1MAPTMAOB
SCHEMBL16131294 0.84 CYP1B1 (0.72) CYP1B1MAPTMAOBMAOAMEN1
SCHEMBL25212485 0.84 CYP1B1 (0.77) ESR1ESR2CYP1B1MAPTMAOB

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-11066398-B2 Small molecule c-Myc inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-20160264560-A1 SMALL MOLECULE C-MYC INHIBITORS SORRENTO THERAPEUTICS, INC. 2016-09-15 — — US disclosed
US-20160264560-A1 SMALL MOLECULE C-MYC INHIBITORS SORRENTO THERAPEUTICS, INC. 2016-09-15 — — US disclosed
WO-2015089180-A1 SMALL MOLECULE C-MYC INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-18 — — 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-20160264560-A1 SMALL MOLECULE C-MYC INHIBITORS MYC, MYCBP, MYCBP2 ESR1 1439/4885ESR2 2014/4885CYP1B1 3311/4885
US-11066398-B2 Small molecule c-Myc inhibitors MYC, MYCBP, MYCBP2 ESR1 1439/4885ESR2 2014/4885CYP1B1 3311/4885

“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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