SCHEMBL17826655

SCHEMBL17826655

CCc1cc2c(c(O)c1C(C)=O)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19841053 0.87 HPGD (0.38) SMN1; SMN2LMNATSHRCA12CA1
SCHEMBL15782882 0.78 AOC3 (0.40) SMN1; SMN2LMNATSHRCA12CA1
SCHEMBL24192282 0.74 CYP3A4 (0.36) LMNAALDH1A1CYP3A4KMT2AHSP90AA1
SCHEMBL19841050 0.71 MAPT (0.38) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL12044490 0.70 CYP3A4 (0.34) SMN1; SMN2LMNATSHRCA12CA1
SCHEMBL31181394 0.70 ALDH1A1 (0.55) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL24317794 0.69 HSP90AA1 (0.40) TSHRALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL14747985 0.69 KDM4E (0.46) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL1027211 0.68 AOC3 (0.43) SMN1; SMN2LMNAALDH1A1HPGDHSD17B10
SCHEMBL25082791 0.68 CA12 (0.38) SMN1; SMN2LMNATSHRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 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-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC SMN1; SMN2 3539/4885LMNA 3030/4885TSHR 466/4885

“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.