SCHEMBL3416191

SCHEMBL3416191

CCCCCCC(O)C1(CCCC)CCO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
LMNA P02545 2/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL3418422 0.98 CYP2D6 (0.34) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL3417881 0.93 CYP2D6 (0.37) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL3417839 0.93
SCHEMBL3422069 0.91 CYP2D6 (0.34) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL3422025 0.89
SCHEMBL3422004 0.88 GPR84 (0.36) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL3417781 0.86 GPR84 (0.33) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL3420567 0.86
SCHEMBL3422639 0.80
SCHEMBL3419500 0.79 GPR84 (0.37) SPHK1LMNAGPR84FFAR1

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 CYP2D6 2179/4885SPHK1 3726/4885LMNA 805/4885

“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.