Sugi Predict

Sugi Predict / Compounds / SCHEMBL7861301

SCHEMBL7861301

SCHEMBL7861301

C=CC(/C=C\c1ccc(OCOC)cc1)c1ccc(OCOC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ PTPN1 P18031 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ AHR P35869 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7854650 0.95 RELA (0.41) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL13558429 0.95 RELA (0.41) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL7854681 0.83 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL12567393 0.77 RELA (0.53) CYP3A4MAPTPTPN1RELAESR1
SCHEMBL4693722 0.77 RELA (0.53) CYP3A4MAPTPTPN1RELAESR1
SCHEMBL4693719 0.77 RELA (0.53) CYP3A4MAPTPTPN1RELAESR1
SCHEMBL7864584 0.77 MAPT (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL7861615 0.77 MAPT (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL805124 0.77 MAPT (0.50) CYP3A4CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL12567390 0.76 CHRNA7 (0.47) ALDH1A1MAPTALOX15PTPN1RELA

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-20120277169-A1 NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES BIONOVO, INC. (US) 2012-11-01 — — US disclosed
WO-2010053600-A2 NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES BIONOVO, INC. (US) 2010-05-14 — — WO disclosed
US-20090312274-A1 Nyasol and Analogs Thereof for the Treatment of Estrogen Receptor Beta-Mediated Diseases BIONOVO, INC. (US) 2009-12-17 — — US disclosed
US-20090312274-A1 Nyasol and Analogs Thereof for the Treatment of Estrogen Receptor Beta-Mediated Diseases BIONOVO, INC. (US) 2009-12-17 — — 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 (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-20090312274-A1 Nyasol and Analogs Thereof for the Treatment of Estrogen Receptor Beta-Mediated Diseases ESR2, ESR1, ESRRA CYP3A4 3838/4885CYP2C9 4584/4885CYP2C19 3750/4885
US-20120277169-A1 NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES ESR2, ESR1, ESRRA CYP3A4 3838/4885CYP2C9 4584/4885CYP2C19 3750/4885

“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.