SCHEMBL19840907

SCHEMBL19840907

CN(C)Cc1onc(OCc2ccccc2)c1C(=O)[C@]1(O)C=CC=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.33
EGFR P00533 4/20 0.33
KCNA2 P16389 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNA1 Q09470 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ALOX5 P09917 2/20 0.31
KCNA3 P22001 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 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
SCHEMBL24079194 0.93 KCNA2 (0.31) EGFRKCNA2KCNA5KCNA1HTR2A
SCHEMBL6125174 0.80 PPARG (0.41) EGFRHTR2AHTR2CALOX5CA12
SCHEMBL6125183 0.79 CA9 (0.44) EGFRKCNA2KCNA5KCNA1HTR2A
SCHEMBL6125173 0.77 EGFR (0.40) MCHR1EGFRHTR2AHTR2CALOX5
SCHEMBL20370154 0.77 LMNA (0.42) EGFRHTR2AHTR2CALOX5PTGS1
SCHEMBL20370010 0.75 EGFR (0.40) MCHR1EGFRALOX5PTGS1PTGS2
SCHEMBL17409114 0.67 PPARG (0.44) HTR2AHTR2CCA12CA1CA2
SCHEMBL19167952 0.66 CA9 (0.47) KCNA2KCNA5KCNA1HTR2AHTR2C
SCHEMBL17409115 0.64 HTR2A (0.39) KCNA2KCNA5KCNA1HTR2AHTR2C
SCHEMBL19035744 0.64 LMNA (0.45) EGFRHTR2AHTR2CCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-9884830-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-02-06 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-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC MCHR1 3300/4885EGFR 833/4885KCNA2 3882/4885

“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.