SCHEMBL3280491

SCHEMBL3280491

O=C(OCc1ccc(CBr)cc1COC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
KMT2A Q03164 3/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
PPARG P37231 1/20 0.50
LMNA P02545 3/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 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
SCHEMBL6875978 0.87 KMT2A (0.51) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL6472102 0.86 TDP1 (0.57) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL6245188 0.82 PPARG (0.61) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL4650584 0.82 KMT2A (0.76) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL28984037 0.81 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL5085480 0.80 PPARG (0.71) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL6564486 0.78 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3PPARG
SCHEMBL16758178 0.78 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6511919 0.78 KMT2A (0.73) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL5085718 0.76 KMT2A (0.92) TDP1KMT2ASLC6A2SLC6A3PPARG

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-20100145105-A1 NOVEL PHENYLBORONIC ACID COMPOUNDS AND INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 US disclosed
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
US-20100087669-A1 NOVEL PHENYLBORONIC ACID COMPOUNDS AND INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-08 US disclosed
US-7659421-B2 Phenylboronic acid compounds and intermediates and processes for the preparation thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-02-09 US disclosed
US-20070015931-A1 Novel phenylboronic acid compounds and intermediates and processes for the preparation thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-01-18 US disclosed
US-6924400-B2 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2005-08-02 US disclosed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 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-20070015931-A1 Novel phenylboronic acid compounds and intermediates and processes for the preparation thereof VDR, CYP24A1, CYP2R1 TDP1 4591/4885KMT2A 4589/4885SLC6A2 2217/4885
US-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR TDP1 1791/4885KMT2A 4353/4885SLC6A2 4665/4885
US-20100145105-A1 NOVEL PHENYLBORONIC ACID COMPOUNDS AND INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF VDR, CYP24A1, CYP2R1 TDP1 4591/4885KMT2A 4589/4885SLC6A2 2217/4885
US-20100087669-A1 NOVEL PHENYLBORONIC ACID COMPOUNDS AND INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF VDR, CYP24A1, CYP2R1 TDP1 4591/4885KMT2A 4589/4885SLC6A2 2217/4885

“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.