SCHEMBL10021802

SCHEMBL10021802

O=CCCCCCC(C=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
HRH1 P35367 4/20 0.33
HTR2A P28223 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.32
TBXA2R P21731 1/20 0.32
TBXAS1 P24557 1/20 0.32
HIF1A Q16665 1/20 0.31
KCNH2 Q12809 1/20 0.31
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 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
SCHEMBL3140408 0.85 CYP2D6 (0.37) HRH1HTR2ACYP2D6KCNH2
SCHEMBL27593435 0.83 HRH1 (0.50) GRIN1GRIN2AHRH1HTR2ASIGMAR1
SCHEMBL8357721 0.82 NAAA (0.43) HTR2ASIGMAR1
SCHEMBL3684109 0.82 HRH1 (0.50) HRH1HTR2A
SCHEMBL8352391 0.82 NAAA (0.43) HTR2ASIGMAR1
SCHEMBL25273765 0.82 NAAA (0.43) HTR2ASIGMAR1
SCHEMBL22471827 0.82 NAAA (0.43) HTR2ASIGMAR1
SCHEMBL22471836 0.82 NAAA (0.43) HTR2ASIGMAR1
SCHEMBL22471869 0.82 NAAA (0.43) HTR2ASIGMAR1
SCHEMBL8351977 0.82 NAAA (0.43) HTR2ASIGMAR1

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-20120035308-A1 METHODS OF MAKING 6-HYDROXYHEXANOPHENONE AND 5-BENZOYLPENTANOIC ACID AND MONO OR DIESTERS THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-02-09 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-20120035308-A1 METHODS OF MAKING 6-HYDROXYHEXANOPHENONE AND 5-BENZOYLPENTANOIC ACID AND MONO OR DIESTERS THEREOF HAAO, OXER1, CYP26B1 GRIN1 4427/4885GRIN2A 4060/4885HRH1 1239/4885

“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.