SCHEMBL10200437

SCHEMBL10200437

C[C@H](O)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
KMT2A Q03164 1/20 0.47
KIF11 P52732 1/20 0.45
LMNA P02545 4/20 0.43
MAPK1 P28482 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KLK7 P49862 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.40
SRC P12931 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
SCHEMBL27693738 1.00 ESR1 (0.49) ESR1ESR2KMT2AKIF11LMNA
SCHEMBL27261768 1.00 ESR1 (0.49) ESR1ESR2KMT2AKIF11LMNA
SCHEMBL5696581 0.86 ESR1 (0.50) ESR1ESR2KMT2AKIF11LMNA
SCHEMBL5898772 0.85 ESR1 (0.46) ESR1ESR2KMT2AKIF11LMNA
SCHEMBL5898775 0.85 ESR1 (0.46) ESR1ESR2KMT2AKIF11LMNA
SCHEMBL7398713 0.84 TP53 (0.46) CRHBPCRHR2CYP2D6
SCHEMBL7284865 0.84 HCAR2 (0.56) KMT2ALMNAMAPK1HCAR2KLK7
SCHEMBL7787130 0.84 ESR1 (0.49) ESR1ESR2KMT2AKIF11LMNA
SCHEMBL28478636 0.83 ESR1 (0.52) ESR1ESR2KMT2AKIF11LMNA
SCHEMBL6375768 0.83 ESR1 (0.52) ESR1ESR2KMT2AKIF11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541394-B2 Aminoglycoside antibiotics MEIJI SEIKA PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-20120165283-A1 NOVEL AMINOGLYCOSIDE ANTIBIOTICS KOBAYASHI YOSHIHIKO (JP) 2012-06-28 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 (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-20120165283-A1 NOVEL AMINOGLYCOSIDE ANTIBIOTICS ATP6V1B1, REN, NRDC ESR1 4120/4885ESR2 4023/4885KMT2A 4053/4885

“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.