SCHEMBL5518672

SCHEMBL5518672

COc1ccc2c(c1CC=C(C)C)OC(c1ccc(O)cc1)CC2=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.77
SLC2A9 Q9NRM0 2/20 0.77
XDH P47989 1/20 0.77
ESR1 P03372 3/20 0.69
AKR1B10 O60218 2/20 0.69
AKR1B1 P15121 2/20 0.69
PDPK1 O15530 1/20 0.69
PRKCA P17252 1/20 0.69
BACE1 P56817 1/20 0.69
PRKCQ Q04759 1/20 0.69
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PPARG P37231 2/20 0.64
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PDCD1 Q15116 1/20 0.63
CD274 Q9NZQ7 1/20 0.63
POLB P06746 2/20 0.63
MAPT P10636 2/20 0.63

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
SCHEMBL13140976 0.92 SLC22A12 (0.64) SLC22A12SLC2A9XDHESR1AKR1B10
SCHEMBL5513740 0.92 ABCG2 (0.66) SLC22A12SLC2A9XDHESR1AKR1B10
SCHEMBL5513744 0.92 ABCG2 (0.66) SLC22A12SLC2A9XDHESR1AKR1B10
Isobavachin SCHEMBL31620056 0.87 SLC22A12 (1.00) SLC22A12SLC2A9XDHESR1AKR1B10
Isobavachin SCHEMBL1170628 0.87 SLC22A12 (1.00) SLC22A12SLC2A9XDHESR1AKR1B10
Isobavachin SCHEMBL27013463 0.87 SLC22A12 (1.00) SLC22A12SLC2A9XDHESR1AKR1B10
7-O-Methylisoxanthohumol SCHEMBL29929829 0.84 ESR1 (0.87) SLC22A12SLC2A9XDHESR1AKR1B10
Munduleaflavanone B SCHEMBL14049994 0.84 ESR1 (0.87) SLC22A12SLC2A9XDHESR1AKR1B10
Isoxanthohumol SCHEMBL904557 0.82 ESR1 (1.00) SLC22A12SLC2A9XDHESR1AKR1B10
Isoxanthohumol SCHEMBL29743582 0.82 ESR1 (1.00) SLC22A12SLC2A9XDHESR1AKR1B10

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-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US claimed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 EP claimed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 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 (1 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-20070092551-A1 Therapeutic agent FABP4, GPR119, IAPP SLC22A12 241/4885SLC2A9 44/4885XDH 3177/4885

“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.