SCHEMBL6898435

SCHEMBL6898435

NCCCCC(C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
AKR1C1 Q04828 1/20 0.43
PTGS1 P23219 1/20 0.43
CPB2 Q96IY4 2/20 0.43
CPB1 P15086 1/20 0.43
ROCK2 O75116 1/20 0.42
MC4R P32245 2/20 0.41
MC5R P33032 2/20 0.41
MC3R P41968 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL11321098 0.85 AKR1C3 (0.51) AKR1C3AKR1C2HDAC1HDAC8AKR1C1
SCHEMBL11319751 0.84 AKR1C3 (0.50) AKR1C3AKR1C2HDAC1HDAC8AKR1C1
SCHEMBL2536993 0.84 AKR1C3 (0.50) AKR1C3AKR1C2HDAC1HDAC8AKR1C1
SCHEMBL2545036 0.84 AKR1C3 (0.50) AKR1C3AKR1C2HDAC1HDAC8AKR1C1
SCHEMBL11316020 0.84 AKR1C3 (0.50) AKR1C3AKR1C2HDAC1HDAC8AKR1C1
SCHEMBL7799567 0.84 AKR1C3 (0.52) AKR1C3AKR1C2HDAC1HDAC8AKR1C1
SCHEMBL4780171 0.83 SLC6A2 (0.55) AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3
SCHEMBL7389434 0.83 SLC6A2 (0.55) AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3
SCHEMBL4778619 0.83 SLC6A2 (0.55) AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3
SCHEMBL5322781 0.82 HRH1 (0.52) CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040146473-A1 Self-stabilized; containing (meth)acrylate polysiloxane L'OREAL (FR) 2004-07-29 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-20040146473-A1 Self-stabilized; containing (meth)acrylate polysiloxane ACR, MMAB, PDS5A AKR1C3 3398/4885AKR1C2 3278/4885HDAC1 2146/4885

“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.