SCHEMBL13170498

SCHEMBL13170498

CCc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)C(c3ccc(CC)cc3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
EGFR P00533 1/20 0.38
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.35
EDNRA P25101 3/20 0.34
PTGS2 P35354 4/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS1 P23219 3/20 0.33
ALDH1A1 P00352 2/20 0.33
EDNRB P24530 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
BCL2 P10415 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL13191513 0.87 CRHBP (0.41) CRHBPCRHR2EDNRAPTGS2PTGS1
SCHEMBL8017544 0.86 CRHBP (0.50) CRHBPCRHR2TP53PTGS2PTGS1
SCHEMBL8017542 0.86 CRHBP (0.50) CRHBPCRHR2TP53PTGS2PTGS1
SCHEMBL8023972 0.86 CRHBP (0.50) CRHBPCRHR2TP53PTGS2PTGS1
SCHEMBL8017540 0.86 CRHBP (0.50) CRHBPCRHR2TP53PTGS2PTGS1
SCHEMBL3799748 0.81 CRHBP (0.37) CRHBPCRHR2EDNRA
SCHEMBL7257012 0.73 CRHBP (0.72) CRHBPCRHR2PTGS2POLBPTGS1
SCHEMBL7256885 0.73 CRHBP (0.72) CRHBPCRHR2PTGS2POLBPTGS1
SCHEMBL7257013 0.73 CRHBP (0.72) CRHBPCRHR2PTGS2POLBPTGS1
SCHEMBL7255719 0.73 CRHBP (0.49) CRHBPCRHR2EDNRAPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 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-20100222432-A1 Synthetic Carbon Nanotubes CYCS, CHN2, TUBA3C CRHBP 1545/4885CRHR2 2699/4885EGFR 1621/4885

“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.