SCHEMBL1896554

SCHEMBL1896554

C=C(C)C1CC(=O)C(C)C(Sc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.33
GRM6 O15303 2/20 0.32
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
TRIP13 Q15645 1/20 0.31
CYP19A1 P11511 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL14647104 1.00 MEN1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL1890337 0.78 MEN1 (0.36) MEN1KMT2AALDH1A1TSHR
SCHEMBL11852634 0.77 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL11062466 0.77 TSHR (0.35) MEN1KMT2ATSHRGRM6GRM2
SCHEMBL15265465 0.72 MEN1 (0.30) MEN1KMT2AALDH1A1
SCHEMBL12265748 0.71 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL18031731 0.71 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL18031740 0.71 MEN1 (0.31) MEN1KMT2AALDH1A1
SCHEMBL28682218 0.70 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8467058 0.70 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US claimed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US claimed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP claimed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US claimed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP claimed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO claimed
US-7935669-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2011-05-03 US disclosed
US-7723286-B2 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2010-05-25 US disclosed
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA 2009-07-16 US disclosed
EP-1460994-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH & CIE (CH) 2008-10-01 EP disclosed
US-20040220074-A1 Compounds for a controlled release of active molecules FIRMENICH SA (CH) 2004-11-04 US disclosed
EP-1460994-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-09-29 EP disclosed
WO-2003049666-A2 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2003-06-19 WO 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-20040220074-A1 Compounds for a controlled release of active molecules ACLY, PTGES, NOTUM MEN1 4581/4885KMT2A 4426/4885SMN1; SMN2 4444/4885
US-20090181878-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES ACLY, PTGES, PPOX MEN1 4691/4885KMT2A 4649/4885SMN1; SMN2 4611/4885

“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.