SCHEMBL4581930

SCHEMBL4581930

CCCCC(CC)COC(=O)CN

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.72
TSHR P16473 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
ATM Q13315 1/20 0.72
RECQL P46063 1/20 0.59
ALDH1A1 P00352 7/20 0.54
CA2 P00918 3/20 0.54
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 3/20 0.48
HSD17B10 Q99714 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42

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
Hydrochloric Acid SCHEMBL4867021 0.98 CYP3A4 (0.70) CYP3A4TSHRTDP1ATMRECQL
Sulfuric Acid SCHEMBL28146916 0.94 RECQL (0.65) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL5185471 0.93 CYP3A4 (0.63) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL4874003 0.88 TSHR (0.56) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL1579848 0.86 CYP3A4 (0.78) CYP3A4TSHRTDP1ATMRECQL
Hydrochloric Acid SCHEMBL4872439 0.86 TSHR (0.54) CYP3A4TSHRTDP1ATMRECQL
Hydroxyamine SCHEMBL10693793 0.86 CYP3A4 (0.72) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL4870241 0.86 TSHR (0.53) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL1155390 0.85 CYP3A4 (0.77) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL2215691 0.85 CYP3A4 (0.77) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459581-B2 Anti-bacterial compounds GIVAUDAN S.A. (CH) 2008-12-02 US claimed
US-20080070985-A1 Anti-Bacterial Compounds BEIERSDORF AG (DE) 2008-03-20 US claimed
CN-101010287-A Anti-bacterial compounds GIVAUDAN SA (CH) 2007-08-01 CN claimed
EP-1786756-A1 ANTI-BACTERIAL COMPOUNDS Givaudan SA (CH) 2007-05-23 EP claimed
WO-2006026876-A1 ANTI-BACTERIAL COMPOUNDS GIVAUDAN SA (CH) 2006-03-16 WO claimed
CN-116969892-A Functional ionic liquid and preparation method and application thereof 厦门稀土材料研究所 2023-10-31 CN disclosed
EP-3642253-B1 BLOCKING AGENTS FOR AMINES, LATENT CURING AGENTS AND POLYURETHANE COMPOSITIONS SIKA TECH AG (CH) 2023-05-10 EP disclosed
EP-3642252-B1 LATENT CURING AGENT AND CURABLE POLYURETHANE COMPOSITION SIKA TECH AG (CH) 2021-12-08 EP disclosed
EP-3642253-A1 BLOCKING AGENT FOR AMINES, LATENT HARDENERS AND POLYURETHANE COMPOSITIONS Sika Technology AG (CH) 2020-04-29 EP disclosed
EP-3642252-A1 LATENT CURING AGENT AND CURABLE POLYURETHANE COMPOSITION Sika Technology AG (CH) 2020-04-29 EP disclosed
WO-2018234267-A1 LATENT CURING AGENT AND CURABLE POLYURETHANE COMPOSITION SIKA TECHNOLOGY AG (CH) 2018-12-27 WO disclosed
WO-2018234268-A1 BLOCKING AGENT FOR AMINES, LATENT HARDENERS AND POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-12-27 WO disclosed
US-7459581-B2 Anti-bacterial compounds GIVAUDAN S.A. (CH) 2008-12-02 US disclosed
EP-1911438-A2 Cosmetic composition containing a derivative of dibenzoylmethane and a arylalkyl amide or ester compound; method of photostabilising the derivative of dibenzoylmethane L'Oréal (FR) 2008-04-16 EP disclosed
US-20080070985-A1 Anti-Bacterial Compounds BEIERSDORF AG (DE) 2008-03-20 US disclosed
US-20080019930-A1 Dibenzoylmethane sunscreens photostabilized with arylalkyl amide or ester compounds L'OREAL (FR) 2008-01-24 US disclosed
CN-101095648-A Dibenzoylmethane sunscreens photostabilized with arylalkyl amide or ester compounds OREAL (FR) 2008-01-02 CN disclosed
EP-1786756-A1 ANTI-BACTERIAL COMPOUNDS Givaudan SA (CH) 2007-05-23 EP disclosed
WO-2006026876-A1 ANTI-BACTERIAL COMPOUNDS GIVAUDAN SA (CH) 2006-03-16 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-20080019930-A1 Dibenzoylmethane sunscreens photostabilized with arylalkyl amide or ester compounds TYR, DDT, AADAC CYP3A4 485/4885TSHR 4288/4885TDP1 2051/4885
US-20080070985-A1 Anti-Bacterial Compounds H1-0, H1-3, LBR CYP3A4 935/4885TSHR 1319/4885TDP1 3807/4885

“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.