SCHEMBL977063

SCHEMBL977063

Cc1cc(C)c(C(=O)Oc2ccccc2)c(OCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
BAK1 Q16611 1/20 0.47
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR4A2 P43354 2/20 0.44
P4HTM Q9NXG6 1/20 0.43
MEN1 O00255 2/20 0.43
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL12921074 0.88 PPARG (0.50) MCL1BAK1KMT2APPARGNR4A2
SCHEMBL13320707 0.88 MAPT (0.42) MCL1BAK1KMT2ALMNAMAPT
SCHEMBL18526459 0.86 KMT2A (0.49) MCL1BAK1KMT2ALMNAMAPT
SCHEMBL17300116 0.84 CASP3 (0.46) MCL1BAK1KMT2AMAPTPPARG
SCHEMBL12948244 0.84 MAPT (0.43) KMT2ALMNAMAPTHTTNPSR1
SCHEMBL17330408 0.79 PPARG (0.49) MCL1BAK1KMT2ALMNAPPARG
SCHEMBL22043204 0.77 MAPT (0.42) KMT2ALMNAMAPTHTTNPSR1
SCHEMBL625614 0.77 MAOB (0.49) LMNAMAOBALDH1A1KDM4E
SCHEMBL17330425 0.75 TDP1 (0.51) KMT2ALMNAMAPTNPSR1MEN1
SCHEMBL17692779 0.75 PTGER1 (0.47) KMT2ALMNANR4A2MEN1MAOB

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 38 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
EP-1753713-A4 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2009-07-08 EP disclosed
EP-2016044-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2009-01-21 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 MCL1 260/4885BAK1 2873/4885KMT2A 535/4885
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC MCL1 260/4885BAK1 2873/4885KMT2A 535/4885
US-20190345116-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC MCL1 260/4885BAK1 2873/4885KMT2A 535/4885
US-20100130451-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF CCNE1, CCNE2, CCNT2 MCL1 347/4885BAK1 2106/4885KMT2A 983/4885
US-10669244-B2 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC MCL1 260/4885BAK1 2873/4885KMT2A 535/4885

“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.