SCHEMBL16301784

SCHEMBL16301784

CCCCOc1noc(CN)c1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
PTGS2 P35354 1/20 0.37
TSHR P16473 4/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMPD1 P17405 2/20 0.36
ALPL P05186 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
SCHEMBL17413891 0.89 ALDH1A1 (0.40) L3MBTL1HTTALDH1A1LMNACA12
SCHEMBL6128428 0.86 CA12 (0.40) CA12CA1CA2CA9PTGS2
SCHEMBL6128423 0.84 ALDH1A1 (0.38) L3MBTL1HTTALDH1A1LMNACA12
SCHEMBL6128430 0.83 MAPT (0.43) L3MBTL1LMNATSHRNPC1CYP1A2
SCHEMBL17413892 0.74 PTGS2 (0.40) CA12CA1CA2CA9PTGS2
SCHEMBL10288678 0.70 PTGS2 (0.37) CA12CA1CA2CA9PTGS2
SCHEMBL19035744 0.68 LMNA (0.45) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL6128427 0.68 CA12 (0.35) ALDH1A1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL8375040 0.67 PTGS1 (0.59) ALDH1A1LMNATP53MAPK1NPC1
SCHEMBL12334447 0.66 SMPD1 (0.64) ALDH1A1TSHRTP53NPC1RAB9A

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-9073829-B2 Synthesis of tetracyclines and intermediates thereto PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-07 US disclosed
US-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO PRESIDENT AND FELOWS OF HARVARD COLLEGE (US) 2012-05-10 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-20120115818-A1 SYNTHESIS OF TETRACYCLINES AND INTERMEDIATES THERETO TET1, TET3, TYMS L3MBTL1 3413/4885HTT 610/4885ALDH1A1 2659/4885

“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.