SCHEMBL4502676

SCHEMBL4502676

COCOc1c(OC)cc(Cl)c(C=O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.39
▸ CYP1A2 P05177 3/20 0.37
▸ MAPT P10636 5/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CLCN2 P51788 1/20 0.34
▸ ERN1 O75460 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL881433 0.84 ERN1 (0.40) ALDH1A1MAPTTDP1KDM4EERN1
SCHEMBL9578716 0.75 ALDH1A1 (0.38) ALDH1A1TDP1KDM4EERN1TUBB1
SCHEMBL30973586 0.74 ERN1 (0.55) ALDH1A1CYP1A2MAPTTDP1L3MBTL1
SCHEMBL4520879 0.74 ALDH1A1 (0.40) ALDH1A1CYP1A2TDP1L3MBTL1POLB
SCHEMBL24132612 0.74 ALDH1A1 (0.38) ALDH1A1CYP1A2TDP1ERN1CYP2C9
SCHEMBL11330262 0.74 ERN1 (0.40) ALDH1A1CYP1A2MAPTTDP1KDM4E
SCHEMBL2744767 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A2MAPTTDP1L3MBTL1
SCHEMBL9050175 0.73 GABRA1 (0.39) ALDH1A1TDP1KDM4EERN1TUBB1
SCHEMBL14511765 0.73 PRKDC (0.47) ALDH1A1CYP1A2MAPTL3MBTL1ERN1
SCHEMBL21119026 0.72 NPSR1 (0.34) ALDH1A1CYP1A2MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 — — US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 — — US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 — — US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 — — 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ALDH1A1 51/4885CYP1A2 270/4885MAPT 4692/4885

“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.

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