SCHEMBL6839231

SCHEMBL6839231

CCOC(=O)C(=O)C(Oc1ccccc1OC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
PLIN1 O60240 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
GAA P10253 1/20 0.48
PKM P14618 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL628126 0.89 KMT2A (0.53) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL72839 0.85 MTNR1A (0.49) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL3228799 0.85 KMT2A (0.57) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL20480333 0.84 PIN1 (0.41) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL4015947 0.84 CASP1 (0.47) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL20480529 0.81 PPARG (0.50) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL6959131 0.80 TDP1 (0.48) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL14026722 0.79 KMT2A (0.41) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL5207376 0.78 KMT2A (0.65) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL2316112 0.78 TSHR (0.54) LMNAMTNR1AMTNR1BKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 KMT2A 4289/4885MEN1 4379/4885LMNA 1848/4885

“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.