SCHEMBL15946341

SCHEMBL15946341

CN(C(=O)c1ccc2ccccc2c1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
PLAU P00749 1/20 0.50
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
EGFR P00533 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
JAK1 P23458 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9557408 0.82 CES2 (0.49) CES2CES1ESR1ESR2PLAU
SCHEMBL7011836 0.82 CES2 (0.61) CES2CES1ESR1ESR2PLAU
SCHEMBL3302319 0.80 CES2 (0.59) CES2CES1ESR1ESR2PLAU
SCHEMBL2470632 0.79 PLAU (0.75) CES2CES1ESR1ESR2PLAU
SCHEMBL18650133 0.79 CES2 (0.49) CES2CES1ESR1ESR2PLAU
SCHEMBL22980975 0.79 CES2 (0.57) CES2CES1ESR1ESR2PLAU
SCHEMBL17278852 0.78 LMNA (0.48) CES2CES1ESR1ESR2ACHE
SCHEMBL6499020 0.77 POLB (0.55) SMN1; SMN2KDM4EHPGDALDH1A1MEN1
SCHEMBL9495213 0.76 CYP3A4 (0.67) SMN1; SMN2HPGDCYP3A4
SCHEMBL3401011 0.76 MGAM (0.58) SMN1; SMN2KDM4EMEN1CYP3A4MAPT

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
CN-105658650-B imidazole compounds as modulators of follicle stimulating hormone receptors and uses thereof 默克专利有限公司 2019-01-08 CN disclosed
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 CES2 717/4885CES1 197/4885ESR1 4455/4885

“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.