SCHEMBL7042553

SCHEMBL7042553

CCC(C)(C[O])c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ACHE P22303 3/20 0.39
KIF11 P52732 5/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 1/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PTPN5 P54829 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL7040278 0.86 LMNA (0.41) LMNAACHEKIF11CYP3A4CYP2D6
SCHEMBL28629680 0.81 KIF11 (0.46) LMNAACHEKIF11CYP3A4CYP2D6
SCHEMBL7042554 0.81 LMNA (0.43) LMNAACHEKIF11CYP3A4CYP2D6
SCHEMBL27304946 0.80 LMNA (0.42) LMNAACHEKIF11CYP3A4CYP2D6
SCHEMBL7039820 0.79 ACHE (0.44) LMNAACHEKIF11CYP3A4CYP2D6
SCHEMBL7040831 0.78 CYP2C19 (0.52) CYP3A4CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL11067456 0.76 ACHE (0.46) LMNAACHEKIF11CYP3A4CYP2D6
SCHEMBL28607003 0.76 KIF11 (0.43) LMNAKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL8443853 0.76 ACHE (0.50) LMNAACHEKIF11CYP3A4CYP2D6
SCHEMBL3677112 0.73 ACHE (0.52) LMNAACHEKIF11CYP3A4CYP2D6

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 LMNA 3254/4885ACHE 2462/4885KIF11 3826/4885

“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.