SCHEMBL2074009

SCHEMBL2074009

C=CC(COCc1ccccc1)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
HTT P42858 1/20 0.44
SLC1A1 P43005 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL6337069 0.85 CA1 (0.46) CA1CA2CA7CA9HTT
SCHEMBL6337071 0.85 CA1 (0.46) CA1CA2CA7CA9HTT
SCHEMBL291860 0.83 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL291859 0.83 CA1 (0.42) CA1CA2CA7CA9HTT
SCHEMBL8376755 0.81 ALDH1A1 (0.44) ALDH1A1TSHRNPC1
SCHEMBL5516567 0.80 LMNA (0.51) NPSR1ALOX15MAPT
SCHEMBL9489505 0.80 HTT (0.49) CA1CA2CA7CA9HTT
SCHEMBL9489307 0.80 HTT (0.49) CA1CA2CA7CA9HTT
SCHEMBL9489310 0.80 HTT (0.49) CA1CA2CA7CA9HTT
SCHEMBL7789021 0.80 ALDH1A1 (0.55) ALDH1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960379-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-14 US disclosed
US-7960379-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-14 US disclosed
US-7897629-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-03-01 US disclosed
US-7897629-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-03-01 US disclosed
US-7897629-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-03-01 US disclosed
US-20090247594-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-10-01 US disclosed
US-20090247594-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-10-01 US disclosed
US-20090247594-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-10-01 US disclosed
WO-2009114744-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-09-17 WO disclosed
US-20090233931-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2009-09-17 US disclosed
US-20090233931-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2009-09-17 US disclosed
US-7557095-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-07-07 US disclosed
US-7557095-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-07-07 US disclosed
EP-2044041-A2 ISOTHIAZOLIDINES USEFUL IN THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS Allergan, Inc. (US) 2009-04-08 EP disclosed
WO-2007134085-A2 ISOTHIAZOLIDINES USEFUL IN THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS ALLERGAN, INC. (US) 2007-11-22 WO disclosed
WO-2007134085-A2 ISOTHIAZOLIDINES USEFUL IN THE TREATMENT OF OCULAR HYPERTENSIVE CONDITIONS ALLERGAN, INC. (US) 2007-11-22 WO disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 US disclosed
US-4087435-A 8-Aza-9-dioxothiaprostanoic acids MERCK & CO., INC. (US) 1978-05-02 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 (3 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-20090247594-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 ALDH1A1 374/4885CA1 1304/4885CA2 877/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 ALDH1A1 374/4885CA1 1304/4885CA2 877/4885
US-20090233931-A1 THERAPEUTIC COMPOUNDS SLC10A1, ABCB11, ACER2 ALDH1A1 177/4885CA1 433/4885CA2 362/4885

“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.