SCHEMBL3418335

SCHEMBL3418335

CCCCCC(O)C1(C)COC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.35
SPHK1 Q9NYA1 2/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 2/20 0.34
DAGLA Q9Y4D2 1/20 0.34
CYP2D6 P10635 2/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 1/20 0.33

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
SCHEMBL3418446 0.98 GPR84 (0.38) GPR84SPHK1FFAR1LMNADAGLA
SCHEMBL3421813 0.94 EPHX1 (0.33)
SCHEMBL3376596 0.85 EPHX1 (0.36)
SCHEMBL3417846 0.78 GPR84 (0.34) GPR84SPHK1FFAR1LMNADAGLA
SCHEMBL11981301 0.78 GPR84 (0.36) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL3421454 0.77 CYP2D6 (0.35) GPR84SPHK1FFAR1LMNADAGLA
SCHEMBL3421667 0.77 GPR84 (0.37) GPR84SPHK1FFAR1LMNADAGLA
SCHEMBL3418999 0.77 CYP2D6 (0.35) GPR84SPHK1FFAR1LMNADAGLA
SCHEMBL1011191 0.76
SCHEMBL11960021 0.76 GPR84 (0.39) GPR84SPHK1FFAR1LMNACYP2D6

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-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT IDEMITSU KOSAN CO., LTD. (JP) 2010-05-27 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-20100130712-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT ARCN1, APP, ADAM17 GPR84 1178/4885SPHK1 3726/4885FFAR1 1692/4885

“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.