SCHEMBL15782882

SCHEMBL15782882

CCc1c2c(cc(O)c1C(C)=O)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.40
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.35
PTGES O14684 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
SCHEMBL19841050 0.86 MAPT (0.38) AOC3CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL17826655 0.78 SMN1; SMN2 (0.40) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19841046 0.73 MEN1 (0.48) CYP3A4SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL768427 0.70 AOC3 (0.63) AOC3CYP3A4SMN1; SMN2LMNATSHR
SCHEMBL19841053 0.70 HPGD (0.38) CYP3A4SMN1; SMN2LMNATSHRMEN1
SCHEMBL772701 0.69 HSP90AA1 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13893459 0.68 PTGES (0.54) CYP3A4SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL12121972 0.67 CYP3A4 (0.45) AOC3CYP3A4SMN1; SMN2MEN1KMT2A
SCHEMBL4465924 0.67 CYP3A4 (0.41) CYP3A4SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL9786001 0.67 AOC3 (0.40) AOC3CYP3A4CYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US 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
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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 (4 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC AOC3 4513/4885CYP3A4 1517/4885CYP1A2 2142/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC AOC3 4513/4885CYP3A4 1517/4885CYP1A2 2142/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC AOC3 4513/4885CYP3A4 1517/4885CYP1A2 2142/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC AOC3 4513/4885CYP3A4 1517/4885CYP1A2 2142/4885

“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.