SCHEMBL9545822

SCHEMBL9545822

C=CN1CCCC1=O.COC(=O)C(C)=C(C)C(C)N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 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
SCHEMBL264350 0.80 ALDH1A1 (0.46) LMNAKDM4EMEN1CYP1A2CYP2D6
Methacrylic Acid SCHEMBL9327599 0.76 ALDH1A1 (0.42) KDM4EMEN1CYP1A2CYP2D6MAPT
Acetamide SCHEMBL28242549 0.76 TSHR (0.42) LMNACA12CA1CA2CA3
SCHEMBL9038798 0.75 KMT2A (0.33) LMNACA12CA1CA2CA3
SCHEMBL3804910 0.75 KMT2A (0.31) LMNACA12CA1CA2CA3
SCHEMBL31414218 0.75 ALDH1A1 (0.43) MAPTKMT2A
Isopropyl Alcohol SCHEMBL28478837 0.74 PIK3CD (0.40) LMNACA12CA1CA2CA3
Acetic Acid SCHEMBL887070 0.74 BRD4 (0.39) LMNACA12CA1CA2CA3
Acrylic Acid Methyl Ester SCHEMBL1888666 0.74 KMT2A (0.34) LMNACA12CA1CA2CA3
Acetic Acid SCHEMBL27448041 0.73 BRD4 (0.38) LMNACA12CA1CA2CA3

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-8845759-B2 Reduction of ammonia smell in substances for oxidative dyeing and/or lightening keratin fibres HENKEL AG & CO. KGAA (DE) 2014-09-30 US disclosed
US-20140165299-A1 REDUCTION OF AMMONIA SMELL IN SUBSTANCES FOR OXIDATIVE DYEING AND/OR LIGHTENING KERATIN FIBRES HENKEL AG & CO. KGAA (DE) 2014-06-19 US disclosed
WO-1993021897-A1 PERMANENT WAVING PROCESS HENKEL KOMMANDTIGESELLSCHAFT AUF AKTIEN (DE) 1993-11-11 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 (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-20140165299-A1 REDUCTION OF AMMONIA SMELL IN SUBSTANCES FOR OXIDATIVE DYEING AND/OR LIGHTENING KERATIN FIBRES KRT18, OAT, AKR7A2 LMNA 728/4885CA12 1054/4885CA1 2831/4885

“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.