SCHEMBL17409115

SCHEMBL17409115

CCc1onc(OCc2ccccc2)c1C(=O)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL17409114 0.88 PPARG (0.44) HTR2AHTR2CCA12CA1CA2
SCHEMBL19167952 0.87 CA9 (0.47) HTR2AHTR2CCA12CA1CA2
SCHEMBL6125173 0.86 EGFR (0.40) HTR2AHTR2CCA12CA1CA2
SCHEMBL19035744 0.85 LMNA (0.45) HTR2AHTR2CCA12CA1CA2
SCHEMBL6125174 0.74 PPARG (0.41) HTR2AHTR2CCA12CA1CA2
SCHEMBL20370154 0.72 LMNA (0.42) HTR2AHTR2CALDH1A1HPGDLMNA
SCHEMBL11495147 0.70 ALDH1A1 (0.46) ALDH1A1HPGDLMNATSHRMAPK1
SCHEMBL20370010 0.70 EGFR (0.40) NPC1RAB9AL3MBTL1MAOBPPARG
SCHEMBL10157718 0.70 HTR2C (0.47) HTR2AHTR2CCA12CA1CA2
SCHEMBL10157720 0.69 SMPD1 (0.59) ALDH1A1MAPK1NPC1RAB9AL3MBTL1

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-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 HTR2A 4348/4885HTR2C 3833/4885CA12 4583/4885

“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.