SCHEMBL3544348

SCHEMBL3544348

CC1CCCC1(CNC1CCCC1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
DPP4 P27487 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HPGD P15428 1/20 0.32
EPHX1 P07099 2/20 0.32
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
HDAC1 Q13547 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
SCHEMBL29603054 0.75 CYP1A2 (0.34) CYP1A2
SCHEMBL16116754 0.75 CYP1A2 (0.38) ALDH1A1CYP1A2
SCHEMBL3538099 0.74 KDM4E (0.34) LMNAKDM4EPOLBALDH1A1CYP1A2
SCHEMBL3541280 0.74 CYP1A2 (0.37) LMNAALDH1A1CYP1A2
SCHEMBL22341263 0.74 CYP1A2 (0.37) CYP1A2
SCHEMBL13464578 0.74 CYP1A2 (0.33) ALDH1A1CYP1A2
SCHEMBL3540366 0.73 KDM4E (0.36) LMNAKDM4EPOLBALDH1A1CYP1A2
SCHEMBL25307198 0.71 USP2 (0.32) EPHX1
SCHEMBL3991203 0.70 CYP2C19 (0.39) LMNAKDM4EPOLBALDH1A1TAAR1
SCHEMBL11359306 0.70 CYP1A2 (0.34) POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 LMNA 1996/4885KDM4E 3977/4885POLB 3906/4885

“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.