SCHEMBL5859637

SCHEMBL5859637

Oc1cccc(-c2cc(O)ccc2Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 14/20 0.54
HSD17B2 P37059 13/20 0.54
CYP3A4 P08684 4/20 0.52
CYP2C9 P11712 3/20 0.52
PELI1 Q96FA3 2/20 0.49
ESR1 P03372 3/20 0.48
ESR2 Q92731 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44

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
SCHEMBL1026674 0.85 ALOX5 (0.59) PELI1ESR1ESR2CA12ALDH1A1
SCHEMBL7777398 0.80 ESR1 (0.48) HSD17B1HSD17B2PELI1ESR1ESR2
SCHEMBL9440083 0.79 ESR1 (0.46) CYP3A4ESR1ESR2CA12ALDH1A1
SCHEMBL17754365 0.78 PELI1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL8999895 0.78 HSD17B1 (0.52) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL38660243 0.77 HSD17B1 (0.67) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL30032619 0.76 ALOX5 (0.71) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL1851229 0.76 ALOX5 (0.71) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL10306739 0.75 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL8450704 0.75 ALOX5 (0.63) HSD17B1HSD17B2CYP3A4CYP2C9PELI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057074-B2 Bisphenylene-spirobifluorene compounds, method for synthesizing the same, and electroluminescence material and device having the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2006-06-06 US disclosed
US-6933063-B2 Spirobifluorene compounds, electroluminescence polymer and electroluminescence element having the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2005-08-23 US disclosed
US-6844088-B2 Bisphenylene-spirobifluorene compounds, method for synthesizing the same, and electroluminescence material and device having the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2005-01-18 US disclosed
US-20040034263-A1 Bisphenylene-spirobifluorene compounds, method for synthesizing the same, and electroluminescence material and device having the same INTELLECTUAL DISCOVERY CO., LTD. (KR) 2004-02-19 US disclosed
US-20030044642-A1 Bisphenylene-spirobifluorene compounds, method for synthesizing the same, and electroluminescence material and device having the same INTELLECTUAL DISCOVERY CO., LTD. (KR) 2003-03-06 US disclosed
US-20030044641-A1 Spirobifluorene compounds, electroluminescence polymer and electroluminescence element having the same ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2003-03-06 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-20040034263-A1 Bisphenylene-spirobifluorene compounds, method for synthesizing the same, and electroluminescence material and device having the same PKD1, NES, EPN1 HSD17B1 978/4885HSD17B2 870/4885CYP3A4 3378/4885

“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.