SCHEMBL70621

SCHEMBL70621

CC(C)c1ccc2c(c1)OCOC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
OGA O60502 2/20 0.35
NR3C1 P04150 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2629600 0.86 MEN1 (0.37) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10297470 0.81 KDM4E (0.45) KMT2AKDM4EALDH1A1MAPTRECQL
Hydrochloric Acid SCHEMBL3275614 0.80 KDM4E (0.46) KMT2AKDM4EALDH1A1MAPTRECQL
SCHEMBL70197 0.78 LMNA (0.35) MEN1KMT2AALDH1A1LTB4RLTB4R2
SCHEMBL90933 0.76 MMP12 (0.36) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL70200 0.75 MEN1 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5520992 0.75 LMNA (0.39) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL3274628 0.75 NR3C1 (0.40) MEN1KMT2ANR3C1ALDH1A1HPGD
SCHEMBL3274635 0.75 NR3C1 (0.40) MEN1KMT2ANR3C1ALDH1A1HPGD
SCHEMBL25839246 0.75 TAAR1 (0.47) CYP3A4CYP2D6MAPTNPSR1GAA

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-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (2 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 2264/4885KMT2A 2284/4885CYP1A2 2253/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 2264/4885KMT2A 2284/4885CYP1A2 2253/4885

“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.