SCHEMBL7125575

SCHEMBL7125575

COc1cccc2c1CCC(=CN(C)C)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.61
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TYR P14679 1/20 0.45
ACHE P22303 1/20 0.43
MAPK14 Q16539 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7125573 1.00 CYP19A1 (0.61) CYP19A1KDM4EMEN1KMT2ATYR
SCHEMBL7509263 0.82 CYP19A1 (0.64) CYP19A1KDM4EMEN1KMT2ATYR
SCHEMBL20460341 0.79 CYP19A1 (0.60) CYP19A1KDM4ETYRACHEMAPK14
SCHEMBL7232372 0.77 CYP19A1 (0.46) CYP19A1KDM4EMEN1KMT2AACHE
SCHEMBL7241104 0.77 CYP19A1 (0.46) CYP19A1KDM4EMEN1KMT2AACHE
SCHEMBL30832110 0.77 CYP19A1 (0.75) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL6822432 0.76 CYP19A1 (1.00) CYP19A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6822430 0.76 CYP19A1 (1.00) CYP19A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL14172820 0.75 BRD4 (0.47) CYP19A1KDM4EACHEMAPTALDH1A1
SCHEMBL8870903 0.75 CYP19A1 (0.65) CYP19A1KDM4EKMT2ATYRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
US-6599908-B1 Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 CYP19A1 175/4885KDM4E 2224/4885MEN1 244/4885

“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.