SCHEMBL3353446

SCHEMBL3353446

COC(=O)c1cc(C)c(O)c(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.77
KDM4E B2RXH2 4/20 0.77
TDP1 Q9NUW8 3/20 0.77
XDH P47989 2/20 0.77
POLB P06746 1/20 0.77
GAA P10253 1/20 0.77
NFKB1 P19838 1/20 0.77
GFER P55789 1/20 0.77
NFKB2 Q00653 1/20 0.77
RELA Q04206 1/20 0.77
FUT7 Q11130 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
CNR2 P34972 2/20 0.56
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
PTPN11 Q06124 3/20 0.50

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
SCHEMBL26395230 0.90 POLB (0.62) LMNAKDM4ETDP1XDHPOLB
SCHEMBL26395222 0.90 POLB (0.62) LMNAKDM4ETDP1XDHPOLB
SCHEMBL26395212 0.90 POLB (0.62) LMNAKDM4ETDP1XDHPOLB
SCHEMBL198717 0.90 KDM4E (0.65) LMNAKDM4ETDP1XDHPOLB
Gallic Acid Methyl Ester SCHEMBL39513 0.87 KDM4E (1.00) LMNAKDM4ETDP1XDHPOLB
Gallic Acid Methyl Ester SCHEMBL28507408 0.85 KDM4E (0.95) LMNAKDM4ETDP1XDHPOLB
Gallic Acid Methyl Ester SCHEMBL21611341 0.85 KDM4E (0.95) LMNAKDM4ETDP1XDHPOLB
Gallic Acid Methyl Ester SCHEMBL21543905 0.85 KDM4E (0.95) LMNAKDM4ETDP1XDHPOLB
Gallic Acid Methyl Ester SCHEMBL28556619 0.85 KDM4E (0.95) LMNAKDM4ETDP1XDHPOLB
SCHEMBL31395255 0.85 KDM4E (0.60) LMNAKDM4ETDP1XDHPOLB

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
CN-111630051-B Olefin spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-12-26 CN disclosed
US-11793823-B2 Compounds and pharmaceutical uses thereof SYNEURX INTERNATIONAL (TAIWAN) CORP. (TW) 2023-10-24 US disclosed
US-11779561-B2 Compounds and pharmaceutical uses thereof SYNEURX INTERNATIONAL (TAIWAN) CORP. (TW) 2023-10-10 US disclosed
US-20230241675-A1 COMPOSITIONS, COMPRISING PLATELET-SHAPED TRANSITION METAL PARTICLES BASF SE (DE) 2023-08-03 US disclosed
US-20210041425-A1 COMPLEX LIQUID CRYSTAL DROPLETS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-02-11 US disclosed
US-20120277460-A1 Fluorous Dendrimers and Methods for Production Thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-01 US disclosed
US-20120277460-A1 Fluorous Dendrimers and Methods for Production Thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-11-01 US disclosed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20120277460-A1 Fluorous Dendrimers and Methods for Production Thereof CD69, FLT3, MYD88 LMNA 3528/4885KDM4E 3782/4885TDP1 1610/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 737/4885KDM4E 4579/4885TDP1 1580/4885
US-11779561-B2 Compounds and pharmaceutical uses thereof ACE, ACE2, FURIN LMNA 2707/4885KDM4E 4466/4885TDP1 3727/4885
US-11793823-B2 Compounds and pharmaceutical uses thereof HRH4, OR10J3, CYP3A5 LMNA 4372/4885KDM4E 2317/4885TDP1 4760/4885

“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.