SCHEMBL980115

SCHEMBL980115

Cc1ncccc1C(=O)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
P2RX7 Q99572 1/20 0.54
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP2 O95551 1/20 0.44
PTK2B Q14289 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL28707488 0.87 KMT2A (0.54) ALDH1A1HPGDP2RX7MAPTTDP1
SCHEMBL15819777 0.86 TDP1 (0.52) ALDH1A1ALOX15P2RX7MAPTTDP1
SCHEMBL28760397 0.82 P2RX7 (0.50) ALDH1A1HSD17B10ALOX15P2RX7MAPT
SCHEMBL69045 0.81 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDALOX15MAPT
SCHEMBL10900355 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDALOX15MAPT
SCHEMBL10900815 0.80 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDALOX15MAPT
Iodide SCHEMBL19357606 0.79 P2RX7 (0.61) ALDH1A1ALOX15P2RX7MAPTTDP1
SCHEMBL1248162 0.79 P2RX7 (0.66) ALDH1A1HSD17B10ALOX15P2RX7TDP1
SCHEMBL27819878 0.79 P2RX7 (0.66) ALDH1A1HSD17B10ALOX15P2RX7TDP1
SCHEMBL29437924 0.78 HSD17B10 (0.76) ALDH1A1HSD17B10HPGDALOX15MAPT

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
US-11192866-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-07 US disclosed
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 EP disclosed
EP-3138831-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2020-07-08 EP disclosed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP disclosed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP disclosed
US-10669244-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-02 US disclosed
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-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-11-14 US disclosed
US-7807842-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-10-05 US disclosed
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 US disclosed
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 US disclosed
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 US disclosed
EP-1753713-A4 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2009-07-08 EP disclosed
WO-2007117639-A9 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2008-04-17 WO disclosed
WO-2007117639-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-10-18 WO disclosed
EP-1753713-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2007-02-21 EP disclosed
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 US disclosed
WO-2005112945-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 WO 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 (5 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-11192866-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC ALDH1A1 4455/4885HSD17B10 2440/4885HPGD 3373/4885
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC ALDH1A1 4455/4885HSD17B10 2440/4885HPGD 3373/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC ALDH1A1 4455/4885HSD17B10 2440/4885HPGD 3373/4885
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF CCNE1, CCNE2, CCNT2 ALDH1A1 4622/4885HSD17B10 3668/4885HPGD 2807/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC ALDH1A1 4455/4885HSD17B10 2440/4885HPGD 3373/4885

“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.