SCHEMBL20162234

SCHEMBL20162234

CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(OCC)c1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.49
TOP2A P11388 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.42
ALPG P10696 1/20 0.42
HTT P42858 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL20162277 0.88 MAPT (0.47) MAPTLMNASMN1; SMN2HPGDKDM4E
SCHEMBL23407471 0.88 MEN1 (0.57) MAPTLMNASMN1; SMN2HPGDTOP2A
SCHEMBL20162278 0.84 KDM4E (0.46) MAPTLMNASMN1; SMN2HPGDTOP2A
SCHEMBL20162241 0.84 TOP2A (0.62) MAPTLMNASMN1; SMN2TOP2AALDH1A1
SCHEMBL23407459 0.84 ALOX5 (0.47) MAPTLMNASMN1; SMN2HPGDTOP2A
SCHEMBL23407473 0.84 KDM4E (0.41) MAPTLMNASMN1; SMN2HPGDTOP2A
SCHEMBL20162247 0.84 PTP4A3 (0.43) MAPTLMNASMN1; SMN2HPGDTOP2A
SCHEMBL20395525 0.83 MAPT (0.58) MAPTLMNAHPGDKMT2A
SCHEMBL23407462 0.81 ESR1 (0.43) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL23407472 0.80 ESR1 (0.44) MAPTLMNAKDM4EMEN1KMT2A

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-20210161783-A1 USE OF SPECIFIC BENZYLIDENE MALONATES FOR PROTECTING THE SKIN FROM CHEMICALLY INDUCED STRESS MERCK PATENT GMBH (DE) 2021-06-03 US disclosed
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 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 (2 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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 MAPT 1864/4885LMNA 2333/4885SMN1; SMN2 1302/4885
US-20210161783-A1 USE OF SPECIFIC BENZYLIDENE MALONATES FOR PROTECTING THE SKIN FROM CHEMICALLY INDUCED STRESS MAL2, GAA, ME2 MAPT 2297/4885LMNA 2640/4885SMN1; SMN2 3619/4885

“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.