SCHEMBL3225241

SCHEMBL3225241

CCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 7/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HLCS P50747 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
CYP1A2 P05177 2/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL11125187 1.00 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
SCHEMBL11125192 1.00 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
SCHEMBL14822502 1.00 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
SCHEMBL3269617 1.00 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
SCHEMBL39157 1.00 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
Ammonia Solution, Strong SCHEMBL4243822 0.99 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
SCHEMBL13779814 0.96 MAPK1 (0.38) ALDH1A1MAPK1CYP19A1LMNAMEN1
SCHEMBL28833723 0.94 LMNA (0.33) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
SCHEMBL6050499 0.93 MAPK1 (0.32) ALDH1A1MAPK1L3MBTL1CYP19A1LMNA
SCHEMBL13588314 0.89 MAPK1 (0.38) ALDH1A1MAPK1LMNAMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080220031-A1 Dermocosmetic Preparations BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 US claimed
US-20130085186-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS BASF SE (DE) 2013-04-04 US disclosed
US-20100048737-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS BASF SE (DE) 2010-02-25 US disclosed
US-20090156485-A1 METHOD FOR COUPLING KERATIN-BINDING POLYPEPTIDES WITH EFFECTOR MOLECULES WHICH SUPPORT CARBOXYLIC GROUPS OR SULFONIC ACID GROUPS BASE SE (DE) 2009-06-18 US disclosed
US-20090098076-A1 Method For the Production of a Keratin-Binding Effector Molecule BASF SE (DE) 2009-04-16 US disclosed
US-20090099075-A1 Chimeric Keratin-Binding Effector Proteins BASF SE (DE) 2009-04-16 US disclosed
US-20080220031-A1 Dermocosmetic Preparations BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 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 (6 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-20130085186-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS PRDM7, FABP4, PLIN1 ALDH1A1 166/4885MAPK1 2710/4885L3MBTL1 3612/4885
US-20090156485-A1 METHOD FOR COUPLING KERATIN-BINDING POLYPEPTIDES WITH EFFECTOR MOLECULES WHICH SUPPORT CARBOXYLIC GROUPS OR SULFONIC ACID GROUPS KRT18, KRTCAP2, CUTA ALDH1A1 3455/4885MAPK1 3549/4885L3MBTL1 4411/4885
US-20100048737-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS PRDM7, FABP4, PLIN1 ALDH1A1 166/4885MAPK1 2710/4885L3MBTL1 3612/4885
US-20080220031-A1 Dermocosmetic Preparations C3AR1, C1S, C1R ALDH1A1 1951/4885MAPK1 2373/4885L3MBTL1 976/4885
US-20090099075-A1 Chimeric Keratin-Binding Effector Proteins KRT18, KRTCAP2, CKAP4 ALDH1A1 4225/4885MAPK1 3625/4885L3MBTL1 1390/4885
US-20090098076-A1 Method For the Production of a Keratin-Binding Effector Molecule KRT18, KRTCAP2, CUTA ALDH1A1 3750/4885MAPK1 3547/4885L3MBTL1 3908/4885

“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.