SCHEMBL789470

SCHEMBL789470

CCOCO[CH]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1I2 O75469 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL93706 0.82 RELA (0.47) RELAMEN1KMT2ANR1I2TP53
SCHEMBL9798232 0.82 ALDH1A1 (0.39) RELAALDH1A1TSHRKDM4EHPGD
SCHEMBL8340935 0.82 RELA (0.40) RELAMEN1KMT2ANR1I2TP53
SCHEMBL8341640 0.80 RELA (0.39) RELAMEN1KMT2ANR1I2TP53
SCHEMBL6672654 0.79 TSHR (0.56) TSHRKDM4EPOLBMAOAMAOB
SCHEMBL5410674 0.78 TRPA1 (0.39) RELAMEN1KMT2ATP53ALDH1A1
SCHEMBL815747 0.74 MEN1 (0.39) RELAMEN1KMT2ANR1I2TP53
SCHEMBL425560 0.71 TSHR (0.50) ALDH1A1TSHRKDM4EMAOAMAOB
SCHEMBL317685 0.71 LTA4H (0.47) RELAMEN1KMT2ATP53ALDH1A1
SCHEMBL28054696 0.71 RELA (0.41) RELAKMT2ATP53ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US disclosed
US-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT 2013-10-10 US disclosed
EP-2616479-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF Stichting Het Nederlands Kanker Instituut (NL) 2013-07-24 EP disclosed
WO-2012036551-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF STICHTING HET NEDERLANDS KANKERINSTITUUT (NL) 2012-03-22 WO disclosed
US-5952504-A REACTING A SULFONATED, HALOGENATED OR PHOSPHONATED 1,7-NAPHTHYRIDINE COMPOUNDS WITH AN AROMATIC AMINE DERIVATIVE; ANTIULCER AGENT YUNGJIN PHARMACEUTICAL COMPANY, LTD. (KR) 1999-09-14 US disclosed
EP-0843677-A1 4-AMINO-3-ACYLNAPHTHYRIDINE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1998-05-27 EP 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 (2 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-20130267680-A1 TOTAL CHEMICAL SYNTHESIS OF UBIQUITIN, UBIQUITIN MUTANTS AND DERIVATIVES THEREOF UBQLN1, UBQLN2, UBE3A RELA 953/4885MEN1 2901/4885KMT2A 498/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 RELA 1518/4885MEN1 1435/4885KMT2A 2967/4885

“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.