SCHEMBL5494926

SCHEMBL5494926

CCCCCC(CC)OC(=O)C=Cc1cccc(-c2ccccc2)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
CTSL P07711 3/20 0.37
CTSK P43235 3/20 0.37
CTSB P07858 2/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CTSS P25774 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CNR2 P34972 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL2692264 0.82 APP (0.45) HDAC8ALDH1A1KDM4EHCAR2ALOX5
SCHEMBL288562 0.82 TDP1 (0.50) HDAC8CTSLPDCD1CD274ALDH1A1
SCHEMBL156437 0.82 TDP1 (0.50) HDAC8CTSLPDCD1CD274ALDH1A1
SCHEMBL39303 0.79 ALDH1A1 (0.48) PDCD1CD274ALDH1A1KDM4EALOX5
SCHEMBL39304 0.79 ALDH1A1 (0.48) PDCD1CD274ALDH1A1KDM4EALOX5
SCHEMBL19137920 0.78 NFKB1 (0.47) CTSLCTSKCTSBKDM4EHCAR2
SCHEMBL28358728 0.77 NFE2L2 (0.38) PTGER4PTGER3PTGER2ALDH1A1KDM4E
SCHEMBL3222440 0.76 EGFR (0.49) HDAC8CTSLCTSKCTSBALDH1A1
SCHEMBL3222436 0.76 EGFR (0.49) HDAC8CTSLCTSKCTSBALDH1A1
SCHEMBL62156 0.76 NFE2L2 (0.52) ALDH1A1KDM4E

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-20240033197-A1 C13 - HYDROCARBON MIXTURE AND USE THEREOF BASF SE (DE) 2024-02-01 US disclosed
EP-4259072-A1 C13 - HYDROCARBON MIXTURE AND USE THEREOF BASF SE (DE) 2023-10-18 EP disclosed
EP-4026533-A1 C13 - HYDROCARBON MIXTURE AND USE THEREOF BASF SE (DE) 2022-07-13 EP disclosed
CN-108495646-B Compound for treating and/or caring for skin, hair, nails and/or mucous membranes 路博润先进材料公司 2022-07-08 CN disclosed
WO-2022122510-A1 C13 - HYDROCARBON MIXTURE AND USE THEREOF BASF SE (DE) 2022-06-16 WO disclosed
US-7262042-B2 Alkaline protease from Bacillus gibsonii (DSM 14393) and washing and cleaning products comprising said alkaline protease HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-08-28 US disclosed
US-20050113273-A1 Alkaline protease from bacillus gibsonii (DSM 14393) and washing and cleaning products comprising said alkaline protease HENKEL AG & CO. KGAA (DE) 2005-05-26 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-20050113273-A1 Alkaline protease from bacillus gibsonii (DSM 14393) and washing and cleaning products comprising said alkaline protease PRSS2, ALPI, GBA3 PTGER1 4659/4885PTGER4 4834/4885PTGER3 4522/4885

“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.