SCHEMBL4520879

SCHEMBL4520879

COCOc1c(OC)ccc(C=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TUBB1 Q9H4B7 1/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERN1 O75460 3/20 0.38
HPGD P15428 1/20 0.38
FDPS P14324 1/20 0.37
SRC P12931 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6753702 0.85 ALDH1A1 (0.43) ALDH1A1TUBB1KMT2APOLBL3MBTL1
SCHEMBL9327164 0.84 ERN1 (0.44) ALDH1A1TUBB1KMT2APOLBL3MBTL1
SCHEMBL736351 0.83 POLB (0.50) ALDH1A1TUBB1KMT2APOLBERN1
SCHEMBL10603279 0.80 BCHE (0.48) ALDH1A1TUBB1KMT2AL3MBTL1ERN1
SCHEMBL7961321 0.80 ALDH1A1 (0.36) ALDH1A1TUBB1KMT2APOLBCYP1A2
SCHEMBL10604927 0.79 SMN1; SMN2 (0.40) ALDH1A1TUBB1KMT2APOLBL3MBTL1
SCHEMBL3213856 0.78 SRC (0.56) ALDH1A1POLBCYP1A2L3MBTL1ERN1
SCHEMBL4898660 0.76 ALDH1A1 (0.50) ALDH1A1KMT2APOLBCYP1A2L3MBTL1
SCHEMBL8731801 0.75 POLB (0.44) ALDH1A1TUBB1KMT2APOLBERN1
SCHEMBL30973586 0.75 ERN1 (0.55) ALDH1A1TUBB1CYP1A2L3MBTL1ERN1

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 51/4885TUBB1 3032/4885KMT2A 2379/4885

“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.