SCHEMBL15782118

SCHEMBL15782118

COc1ccc2cc(C(CC(=O)O)CC(=O)O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.62
AKR1C2 P52895 7/20 0.62
PTGS1 P23219 4/20 0.62
PTGS2 P35354 3/20 0.62
TSHR P16473 2/20 0.62
CYP1A2 P05177 2/20 0.62
CDC42 P60953 1/20 0.62
RAC1 P63000 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
AKR1C1 Q04828 1/20 0.61
FFAR1 O14842 2/20 0.58
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL15782117 0.91 AKR1C3 (0.56) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL15780716 0.90 AKR1C3 (0.55) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL13828208 0.89 AKR1C3 (0.54) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL9696473 0.86 AKR1C3 (0.60) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL3967988 0.86 ABCB11 (0.67) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL2226074 0.84 L3MBTL1 (0.68) FFAR1L3MBTL1
SCHEMBL5858110 0.82 L3MBTL1 (0.59) FFAR1LMNAL3MBTL1
SCHEMBL7557544 0.82 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL441219 0.82 AKR1C3 (0.59) AKR1C3AKR1C2PTGS1PTGS2TSHR
SCHEMBL657936 0.80 GABBR2 (0.50) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028478-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE NUCLEOPROTEIN OF INFLUENZA VIRUSES INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2018-02-01 US disclosed
US-9783482-B2 Antiviral compositions directed against the influenza virus nucleoprotein INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2017-10-10 US disclosed
US-20140163107-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE INFLUENZA VIRUS NUCLEOPROTEIN INSTITUT NATIONAL DE LA RECHERCHE AGRONIMIQUE (FR) 2014-06-12 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 (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-20180028478-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE NUCLEOPROTEIN OF INFLUENZA VIRUSES SNRPE, HNRNPA1, ADAR AKR1C3 4143/4885AKR1C2 4411/4885PTGS1 2901/4885
US-20140163107-A1 ANTIVIRAL COMPOSITIONS DIRECTED AGAINST THE INFLUENZA VIRUS NUCLEOPROTEIN SNRPE, HNRNPA1, SNRPF AKR1C3 4421/4885AKR1C2 4590/4885PTGS1 4453/4885

“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.