SCHEMBL19003837

SCHEMBL19003837

CC(C)(C)OC(=O)N[C@@H]1COc2cc(O)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TTR P02766 1/20 0.47
EPHX2 P34913 1/20 0.46
MTNR1A P48039 2/20 0.46
BTK Q06187 1/20 0.40
MALT1 Q9UDY8 2/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13213549 1.00 ESR1 (0.47) ESR1ESR2TTREPHX2MTNR1A
SCHEMBL17478347 0.86 MALT1 (0.46) EPHX2MTNR1ABTKMALT1KMT2A
SCHEMBL17478346 0.86 MALT1 (0.46) EPHX2MTNR1ABTKMALT1KMT2A
SCHEMBL17478422 0.86 EPHX2 (0.45) EPHX2MTNR1ABTKMALT1KMT2A
SCHEMBL17478326 0.86 EPHX2 (0.45) EPHX2MTNR1ABTKMALT1KMT2A
SCHEMBL17478454 0.86 EPHX2 (0.45) EPHX2MTNR1ABTKMALT1KMT2A
SCHEMBL22472834 0.83 EPHX2 (0.59) EPHX2MTNR1AMALT1KMT2AL3MBTL1
SCHEMBL390212 0.82 EPHX2 (0.51) ESR2EPHX2BTKKMT2AL3MBTL1
SCHEMBL20722424 0.82 ESR1 (0.52) ESR1ESR2TTRMTNR1ALMNA
SCHEMBL18983627 0.82 ESR1 (0.52) ESR1ESR2TTRMTNR1ALMNA

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-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-07 US disclosed
WO-2017109095-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-29 WO disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 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 (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-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 ESR1 1538/4885ESR2 422/4885TTR 4346/4885
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 ESR1 1538/4885ESR2 422/4885TTR 4346/4885

“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.