SCHEMBL1032181

SCHEMBL1032181

COc1ccccc1C([NH])(c1ccccc1)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.46
ALDH1A1 P00352 3/20 0.42
NR3C2 P08235 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37

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
SCHEMBL1425722 0.96 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL2434874 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL3328991 0.80 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL27965943 0.79 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL8784001 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL9013821 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL8785032 0.78 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL8030506 0.77 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL4599958 0.76 CYP19A1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL7713128 0.76 CA1 (0.46) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210071181-A1 PHARMACEUTICAL COMPOSITION ROCHE INNOVATION CT COPENHAGEN AS (DK) 2021-03-11 US disclosed
EP-3502255-A1 PHARMACEUTICAL COMPOSITION Roche Innovation Center Copenhagen A/S (DK) 2019-06-26 EP disclosed
US-20190071672-A1 Pharmaceutical Composition ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2019-03-07 US disclosed
EP-3431602-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTI-MIRNA ANTISENSE OLIGONUCLEOTIDES Roche Innovation Center Copenhagen A/S (DK) 2019-01-23 EP disclosed
EP-2666859-B1 PHARMACEUTICAL COMPOSITION COMPRISING ANTI-MIRNA ANTISENSE OLIGONUCLEOTIDES ROCHE INNOVATION CT COPENHAGEN AS (DK) 2019-01-02 EP disclosed
US-20180195062-A1 Pharmaceutical Composition SANTARIS PHARMA A/S (DK) 2018-07-12 US disclosed
EP-2264172-B1 OLIGOMERIC COMPOUNDS FOR THE MODULATION OF HIF-1ALPHA EXPRESSION ROCHE INNOVATION CT COPENHAGEN AS (DK) 2017-09-27 EP disclosed
US-9738894-B2 Short interfering RNA (siRNA) analogues ROCHE INNOVATION CENTER COPENHAGEN A/S (CH) 2017-08-22 US disclosed
US-20170009237-A1 Short Interfering RNA (siRNA) Analogues SANTARIS PHARMA A/S (DK) 2017-01-12 US disclosed
EP-2141234-B1 Short Interfering RNA (siRNA) Analogues ROCHE INNOVATION CT COPENHAGEN AS (DK) 2016-04-27 EP disclosed
US-20050014712-A1 Oligomeric compounds for the modulation survivin expression ENZON PHARMACEUTICALS, INC 2005-01-20 US disclosed
US-20040248840-A1 Oligomeric compounds for the modulation of ras expression SANTARIS PHARMA A/S 2004-12-09 US disclosed
US-20040241717-A1 Oligomeric compounds for the modulation of thioredoxin expression SANTARIS PHARMA A/S 2004-12-02 US disclosed
WO-2004083430-A2 SHORT INTERFERING RNA (siRNA) ANALOGUES SANTARIS PHARMA A/S (DK) 2004-09-30 WO disclosed
WO-2004069992-A2 OLIGOMERIC COMPOUNDS FOR THE MODULATION OF RAS EXPRESSION SANTARIS PHARMA A/S (DK) 2004-08-19 WO disclosed
WO-2004069991-A2 OLIGOMERIC COMPOUNDS FOR THE MODULATION OF SURVIVIN EXPRESSION SANTARIS PHARMA A/S (DK) 2004-08-19 WO disclosed
WO-2004069990-A2 OLIGOMERIC COMPOUNDS FOR THE MODULATION OF THIOREDOXIN EXPRESSION SANTARIS PHARMA A/S (DK) 2004-08-19 WO disclosed
US-20040096848-A1 Oligomeric compounds for the modulation HIF-1alpha expression ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2004-05-20 US disclosed
WO-2003085110-A2 OLIGOMERIC COMPOUNDS FOR THE MODULATION HIF-1ALPHA EXPRESSION SANTARIS PHARMA A/S (DK) 2003-10-16 WO disclosed
EP-0753525-A1 CYCLIC NUCLEOTIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-01-15 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 (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-20040248840-A1 Oligomeric compounds for the modulation of ras expression HRAS, KRAS, NRAS CA1 1247/4885CA2 3981/4885CA7 2991/4885
US-20040241717-A1 Oligomeric compounds for the modulation of thioredoxin expression TXN, TXN2, TXNRD3 CA1 1861/4885CA2 4209/4885CA7 4328/4885
US-20040096848-A1 Oligomeric compounds for the modulation HIF-1alpha expression HIF1AN, HIF1A, HYOU1 CA1 1611/4885CA2 1862/4885CA7 2875/4885
US-20050014712-A1 Oligomeric compounds for the modulation survivin expression BIRC5, XIAP, BIRC3 CA1 1782/4885CA2 4192/4885CA7 3903/4885

“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.