SCHEMBL3540366

SCHEMBL3540366

CCC1CC1(CNC1CCCCC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 2/20 0.35
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HDAC1 Q13547 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
SCHEMBL3538099 0.98 KDM4E (0.34) KDM4ENPC1RAB9APOLBEPHX1
SCHEMBL4434461 0.76 SLC6A2 (0.31)
SCHEMBL3545701 0.76
SCHEMBL3544348 0.73 LMNA (0.34) KDM4EPOLBEPHX1ALDH1A1HPGD
SCHEMBL6799921 0.72 GRM2 (0.33)
SCHEMBL5560856 0.72 GRM2 (0.33)
SCHEMBL16369852 0.70 GRM2 (0.32)
SCHEMBL3546456 0.69 GRM2 (0.35) CYP2D6
Acetic Acid SCHEMBL435528 0.66 EPHX1 (0.46) KDM4ENPC1RAB9APOLBEPHX1
SCHEMBL3991203 0.66 CYP2C19 (0.39) KDM4ENPC1RAB9APOLBEPHX1

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 KDM4E 3977/4885NPC1 13/4885RAB9A 1172/4885

“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.