SCHEMBL7864584

SCHEMBL7864584

C=CC(/C=C\c1ccc(OC)cc1)c1ccc(O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP1A1 P04798 3/20 0.49
PTGS2 P35354 3/20 0.49
CYP1B1 Q16678 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PTGS1 P23219 2/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
P4HB P07237 1/20 0.48
CALM1 P0DP23 1/20 0.48
F3 P13726 1/20 0.48
XDH P47989 1/20 0.48

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
SCHEMBL7861615 1.00 MAPT (0.50) MAPTALDH1A1CYP3A4CYP2C9ALOX15
SCHEMBL805124 1.00 MAPT (0.50) MAPTALDH1A1CYP3A4CYP2C9ALOX15
SCHEMBL7854681 0.92 CYP3A4 (0.53) MAPTALDH1A1CYP3A4CYP2C9ALOX15
Nyasol SCHEMBL8416158 0.87 APP (0.43) MAPTALDH1A1CYP3A4CYP2C9ALOX15
Nyasol SCHEMBL30712027 0.87 APP (0.43) MAPTALDH1A1CYP3A4CYP2C9ALOX15
Nyasol SCHEMBL776219 0.87 APP (0.43) MAPTALDH1A1CYP3A4CYP2C9ALOX15
Nyasol SCHEMBL799383 0.87 APP (0.43) MAPTALDH1A1CYP3A4CYP2C9ALOX15
Nyasol SCHEMBL776218 0.87 APP (0.43) MAPTALDH1A1CYP3A4CYP2C9ALOX15
SCHEMBL13558420 0.83 CYP3A4 (0.46) MAPTCYP3A4CYP2C9CYP2C19PTGS2
SCHEMBL7861271 0.83 CYP3A4 (0.46) MAPTCYP3A4CYP2C9CYP2C19PTGS2

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 3 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

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 MAPT 4529/4885ALDH1A1 3223/4885CYP3A4 3838/4885
US-20120277169-A1 NYASOL AND ANALOGS THEREOF FOR THE TREATMENT OF ESTROGEN RECEPTOR BETA-MEDIATED DISEASES ESR2, ESR1, ESRRA MAPT 4529/4885ALDH1A1 3223/4885CYP3A4 3838/4885

“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.