SCHEMBL5599347

SCHEMBL5599347

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5ccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)cc5)cc4)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.46
ESR1 P03372 5/20 0.46
ACHE P22303 2/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX5 P09917 1/20 0.43
JAK2 O60674 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B1 P14061 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B2 P37059 1/20 0.41
DHFR P00374 1/20 0.40
MAP4K4 O95819 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G4A P47712 1/20 0.40
MAOA P21397 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL2964995 1.00 ESR2 (0.46) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL19283276 1.00 ESR2 (0.46) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL21435747 1.00 ESR2 (0.46) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL28085916 1.00 ESR2 (0.46) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL28590274 0.98 ESR2 (0.47) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL4585463 0.98 ESR2 (0.47) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL994958 0.98 ACHE (0.45) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL29662092 0.98 ACHE (0.45) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL21332240 0.96 ESR1 (0.43) ESR2ESR1ACHEALDH1A1ALOX5
SCHEMBL29541990 0.96 ESR1 (0.43) ESR2ESR1ACHEALDH1A1ALOX5

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
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP 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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 ESR2 224/4885ESR1 1343/4885ACHE 2392/4885

“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.