SCHEMBL803631

SCHEMBL803631

CCOCCOC(=O)C(c1ccccc1)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MMP8 P22894 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
SCHEMBL803575 1.00 ATM (0.56) ATML3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL28862621 0.86 ATM (0.61) ATML3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL803886 0.85 ATM (0.65) ATML3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL803808 0.85 ATM (0.65) ATML3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL803805 0.83 L3MBTL1 (0.58) ATML3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL803638 0.83 L3MBTL1 (0.58) ATML3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL803574 0.82 L3MBTL1 (0.56) ATML3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL803632 0.82 L3MBTL1 (0.56) ATML3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9187724 0.81 LMNA (0.62) L3MBTL1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL15896744 0.80 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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 (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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 ATM 4829/4885L3MBTL1 272/4885KDM4E 2490/4885

“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.