SCHEMBL17413892

SCHEMBL17413892

CCCCOc1noc(CC)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ABCB1 P08183 1/20 0.38
PLA2G4B P0C869 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL6128428 0.88 CA12 (0.40) PTGS2CA12CA1CA2CA9
SCHEMBL10288678 0.86 PTGS2 (0.37) PTGS2CA12CA1CA2CA9
SCHEMBL16301784 0.74 L3MBTL1 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL7901543 0.73 LMNA (0.33) PTGS2MEN1KMT2A
SCHEMBL6128427 0.72 CA12 (0.35) PTGS2CA12CA1CA2CA9
SCHEMBL6128423 0.72 ALDH1A1 (0.38) PTGS2CA12CA1CA2CA9
SCHEMBL6128430 0.72 MAPT (0.43) TSHRFAAHMGLLKMT2ATDP1
SCHEMBL6128414 0.70 MAPT (0.41) TSHRFAAHMGLLABCB1KMT2A
SCHEMBL6560660 0.70 NPC1 (0.39) PTGS2TP53MEN1KMT2A
SCHEMBL1572504 0.70 ALDH1A1 (0.45) PTGS2TP53TSHRKMT2A

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 PTGS2 1884/4885CA12 4583/4885CA1 4612/4885

“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.