SCHEMBL12134380

SCHEMBL12134380

CCCCCCCCCCC/C=C/CCC(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ MGLL Q99685 2/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ ASAH1 Q13510 1/20 0.41
▸ POLM Q9NP87 1/20 0.40
▸ POLK Q9UBT6 1/20 0.40
▸ POLL Q9UGP5 1/20 0.40
▸ POLH Q9Y253 1/20 0.40
▸ SOAT2 O75908 1/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ CES1 P23141 2/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ FAAH O00519 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ TK1 P04183 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL30423475 0.85 TDP1 (0.54) TDP1NR1H2NR1H3ASAH1CES1
SCHEMBL29257418 0.85 TDP1 (0.54) TDP1NR1H2NR1H3ASAH1CES1
Hydrochloric Acid SCHEMBL30694219 0.84 TDP1 (0.53) TDP1NR1H2NR1H3ASAH1CES1
SCHEMBL5574641 0.79 ALDH1A1 (0.49) TDP1POLBCYP2D6
SCHEMBL12197551 0.79 CDC25A (0.43) MGLLNR1H2NR1H3ASAH1CES1
SCHEMBL12197535 0.79 CDC25A (0.43) MGLLNR1H2NR1H3ASAH1CES1
SCHEMBL8732975 0.78 TDP1 (0.61) TDP1POLBCYP2D6
SCHEMBL2359680 0.77 MGLL (0.50) MGLLNR1H2NR1H3ASAH1CES1
SCHEMBL8008712 0.77 MGLL (0.62) TDP1MGLLCES1CDC25AFAAH
SCHEMBL2359683 0.77 MGLL (0.50) MGLLNR1H2NR1H3ASAH1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571591-B1 FUNCTIONALIZED SUBSTRATES WITH AROMATIC STACKING PROPERTIES DIONEX CORP (US) 2017-08-02 — — EP disclosed
US-9144756-B2 Functionalized substrates with aromatic stacking properties DIONEX CORPORATION (US) 2015-09-29 — — US disclosed
US-20110284465-A1 FUNCTIONALIZED SUBSTRATES WITH AROMATIC STACKING PROPERTIES DIONEX CORPORATION (US) 2011-11-24 — — 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-20110284465-A1 FUNCTIONALIZED SUBSTRATES WITH AROMATIC STACKING PROPERTIES SRMS, STUB1, SPEN TDP1 2374/4885MGLL 3329/4885NR1H2 2507/4885

“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.

Send feedback