SCHEMBL18214569

SCHEMBL18214569

C=C(COc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1)[Si](C)(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.57
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
MAPT P10636 11/20 0.53
LMNA P02545 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HSP90AA1 P07900 2/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 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
SCHEMBL8012580 0.84 NR1H4 (0.62) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL11100803 0.81 NR1H4 (0.72) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL4968587 0.80 NR1H4 (0.64) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL12869943 0.80 NR1H4 (0.70) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL13538619 0.79 NR1H4 (0.58) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL540859 0.78 NR1H4 (0.64) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL1068265 0.78 MEN1 (0.85) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL11330304 0.77 NR1H4 (0.67) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL8393508 0.77 NR1H4 (0.60) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL22368423 0.77 NR1H4 (0.60) NR1H4MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2016-11-10 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-20160326091-A1 USE OF CYCLOHEXANOL DERIVATIVES AS ANTIMICROBIAL ACTIVE COMPOUNDS CYP51A1, DDT, EBP NR1H4 698/4885MEN1 4153/4885KMT2A 4615/4885

“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.