SCHEMBL9946129

SCHEMBL9946129

CC(=O)c1ccccc1C1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 2/20 0.33
CA12 O43570 1/20 0.33
CYP1A2 P05177 1/20 0.33
NT5E P21589 1/20 0.33
MAOB P27338 1/20 0.33
CA9 Q16790 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAPT P10636 2/20 0.33
PDK2 Q15119 1/20 0.33
PBRM1 Q86U86 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9946148 0.78 TSHR (0.57) CNR2KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL28692193 0.77 MAOB (0.40) SMN1; SMN2KMT2AALDH1A1CA12MAOB
SCHEMBL9946136 0.75 L3MBTL1 (0.48) KDM4EALDH1A1LMNACYP2C9POLB
SCHEMBL16615866 0.73 CYP3A4 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL9946123 0.73 MEN1 (0.42) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL16025390 0.69 NOTUM (0.42) CNR2KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL29932760 0.69 NOTUM (0.42) CNR2KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL279655 0.68 ALDH1A1 (0.53) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL17859392 0.68 HCRTR1 (0.45) CNR2DDB1CRBNPDK2
SCHEMBL17681983 0.67 CYP2D6 (0.43) KMT2AALDH1A1DDB1CRBNHPGD

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CNR2 93/4885KDM4E 4270/4885SMN1; SMN2 3273/4885

“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.