SCHEMBL17409114

SCHEMBL17409114

CCc1onc(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALKBH1 Q13686 1/20 0.40

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
SCHEMBL19167952 0.90 CA9 (0.47) HTR2AHTR2CCA12CA1CA2
SCHEMBL17409115 0.88 HTR2A (0.39) PPARGHTR2AHTR2CCA12CA1
SCHEMBL19035744 0.88 LMNA (0.45) PPARGHTR2AHTR2CCA12CA1
SCHEMBL6125174 0.85 PPARG (0.41) PPARGHTR2AHTR2CNR4A2NR4A1
SCHEMBL11495147 0.78 ALDH1A1 (0.46) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL17413892 0.78 PTGS2 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL6125183 0.76 CA9 (0.44) HTR2AHTR2CCA12CA1CA2
SCHEMBL20370154 0.75 LMNA (0.42) PPARGHTR2AHTR2CALDH1A1LMNA
SCHEMBL20370010 0.73 EGFR (0.40) PPARGMEN1KMT2AL3MBTL1MAOB
SCHEMBL2473730 0.72 PTGS1 (0.61) TSHRMAPK1HTTMEN1KMT2A

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-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-9688644-B2 Synthesis of Tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-27 US disclosed
US-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-01-07 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-20160002183-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TECR, TAOK1, TET1 PPARG 2542/4885HTR2A 4348/4885HTR2C 3833/4885

“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.