SCHEMBL9979794

SCHEMBL9979794

COC(O)c1ccc(C(O)OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
SLC2A1 P11166 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ESR1 P03372 1/20 0.33
PDCD1 Q15116 1/20 0.33
ESR2 Q92731 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
BLM P54132 2/20 0.32
NFKB1 P19838 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31

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
SCHEMBL21769395 0.89 ESR1 (0.50) TSHRCYP3A4ESR1PDCD1ESR2
SCHEMBL6203868 0.89 CHRNA7 (0.41) TSHR
SCHEMBL13283559 0.89 TYR (0.41) NPSR1GAA
SCHEMBL17124666 0.89 TSHR (0.36) AOC3TSHRCYP3A4PPARGPPARD
SCHEMBL6202340 0.87 CYP1A2 (0.42) NPSR1GAA
SCHEMBL10186917 0.87 IDO1 (0.31)
SCHEMBL6205818 0.87 CA12 (0.52) AOC3TSHRSLC2A1ESR2
SCHEMBL20960412 0.87 TDP1 (0.42) TSHRCYP3A4BLMNFKB1PMP22
SCHEMBL6206391 0.87 AOC3 (0.44) AOC3GAA
SCHEMBL2645634 0.87 BLM (0.32) TSHRBLMNPSR1GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9978474-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-22 US disclosed
US-9978474-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-22 US disclosed
US-9598442-B2 Crystallized hybrid solid having a three-dimensional DMOF-1-N3 organic-inorganic matrix and method for preparing the same IFP Energies Nouvelles (FR) 2017-03-21 US disclosed
US-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS UNITED STATES DEPARTMENT OF ENERGY 2016-08-25 US disclosed
US-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS UNITED STATES DEPARTMENT OF ENERGY 2016-08-25 US disclosed
US-9269473-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-23 US disclosed
US-9269473-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-23 US disclosed
US-20140081014-A1 CONDUCTIVE OPEN FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-20 US disclosed
WO-2012082213-A2 CONDUCTIVE OPEN FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 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 (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-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS GJB2, OR10J3, EPCAM AOC3 746/4885TSHR 4819/4885CYP3A4 2667/4885

“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.