SCHEMBL4890342

SCHEMBL4890342

COc1cc(C=C(C(=O)O)c2ccc(Oc3ccc(C=O)cc3)cc2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
AKR1C3 P42330 3/20 0.54
NQO2 P16083 4/20 0.51
PARP10 Q53GL7 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
POLB P06746 1/20 0.47
PPARG P37231 1/20 0.47
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4890340 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AAKR1C3NQO2
SCHEMBL3793596 0.88 PPARG (0.59) ALDH1A1MEN1KMT2AAKR1C3NQO2
SCHEMBL3797579 0.88 PPARG (0.59) ALDH1A1MEN1KMT2AAKR1C3NQO2
SCHEMBL3793593 0.88 PPARG (0.59) ALDH1A1MEN1KMT2AAKR1C3NQO2
SCHEMBL27838696 0.87 MEN1 (0.64) ALDH1A1MEN1KMT2AAKR1C3NQO2
SCHEMBL3797950 0.85 PARP10 (0.50) ALDH1A1MEN1KMT2AAKR1C3PARP10
SCHEMBL3797946 0.85 PARP10 (0.50) ALDH1A1MEN1KMT2AAKR1C3PARP10
SCHEMBL14087896 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2AAKR1C3NQO2
SCHEMBL14087904 0.84 AKR1C3 (0.75) AKR1C3
SCHEMBL14087892 0.84 MTNR1A (0.59) ALDH1A1MEN1KMT2AAKR1C3NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188654-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-08-07 US disclosed
US-20080108825-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-05-08 US disclosed
US-20080103302-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-05-01 US disclosed
US-7323496-B2 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-01-29 US disclosed
US-20070259961-A9 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS NEOGI PARTHA 2007-11-08 US disclosed
US-20040097593-A1 Compounds for treatment of inflammation, diabetes and related disorders SEED, BRIAN 2004-05-20 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 (5 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-20070259961-A9 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS CPS1, ABAT, IL6 ALDH1A1 2718/4885MEN1 3284/4885KMT2A 1903/4885
US-20080103302-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 ALDH1A1 2681/4885MEN1 3293/4885KMT2A 1862/4885
US-20080108825-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 ALDH1A1 2681/4885MEN1 3293/4885KMT2A 1862/4885
US-20040097593-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 ALDH1A1 2718/4885MEN1 3284/4885KMT2A 1903/4885
US-20080188654-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 ALDH1A1 2681/4885MEN1 3293/4885KMT2A 1862/4885

“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.