SCHEMBL2900687

SCHEMBL2900687

CCOC(=O)c1cc(OC)c(C(=O)OCC)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.55
HSD17B2 P37059 1/20 0.54
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
DPP4 P27487 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KCNK3 O14649 1/20 0.48
CDC25B P30305 1/20 0.48

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
SCHEMBL6788470 0.93 KMT2A (0.57) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL31463978 0.89 KMT2A (0.54) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL6859316 0.89 KMT2A (0.54) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL1964834 0.87 HTR4 (0.53) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL20060067 0.87 KMT2A (0.56) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL6584127 0.87 HTR4 (0.53) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL27455432 0.87 HSD17B2 (0.59) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL13468491 0.86 KMT2A (0.54) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL3615833 0.86 KMT2A (0.54) KMT2AALDH1A1GAATSHRHSD17B2
SCHEMBL11310863 0.85 KMT2A (0.50) KMT2AALDH1A1GAATSHRHSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015168368-A1 FLUOROALKYLATION REAGENTS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-05 WO disclosed
CN-102249901-A Preparation method of 2, 5-dialkoxy terephthalic acid SHANDONG NON METALLIC MATERIAL RES INST 2011-11-23 CN disclosed
US-20100297588-A1 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-25 US disclosed
EP-2214621-A2 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS 3M Innovative Properties Company (US) 2010-08-11 EP disclosed
WO-2009058854-A2 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-05-07 WO 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-20100297588-A1 DENTAL COMPOSITIONS WITH NATURAL TOOTH FLUORESCENCE AND METHODS PITHD1, DDX24, DACH1 KMT2A 1428/4885ALDH1A1 3070/4885GAA 2121/4885

“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.