SCHEMBL20347161

SCHEMBL20347161

Cc1cccc(CC(OC(C)(C)C)(C(=O)OCCN2CCOCC2)C(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 6/20 0.48
TRPV4 Q9HBA0 1/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRCP P42785 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL22216655 0.87 NT5E (0.48) L3MBTL1ALDH1A1TRPV4MEN1KMT2A
SCHEMBL24835820 0.78 NT5E (0.49) L3MBTL1ALDH1A1TRPV4MEN1KMT2A
SCHEMBL11608795 0.77 ALDH1A1 (0.55) L3MBTL1ALDH1A1TRPV4MEN1KMT2A
SCHEMBL20066468 0.76 ALDH1A1 (0.56) ALDH1A1TRPV4MEN1KMT2AGAA
SCHEMBL20350708 0.76 NT5E (0.47) L3MBTL1ALDH1A1TRPV4KDM4EHPGD
Oxalic Acid SCHEMBL11606518 0.74 ALDH1A1 (0.51) ALDH1A1TRPV4MEN1KMT2AGAA
SCHEMBL20347152 0.72 CTBP2 (0.43) ALDH1A1KMT2ACYP3A4KDM4E
SCHEMBL20347267 0.71 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ANPSR1ATM
SCHEMBL18808227 0.71 L3MBTL1 (0.55) L3MBTL1ALDH1A1TSHRSIGMAR1KDM4E
SCHEMBL10084675 0.70 L3MBTL1 (0.97) L3MBTL1ALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 L3MBTL1 4683/4885ALDH1A1 527/4885TRPV4 1177/4885

“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.