SCHEMBL10038470

SCHEMBL10038470

C=COCCOc1ccc(N2C(=O)C=C(C)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
PABPC1 P11940 1/20 0.33
RAB9A P51151 1/20 0.33
MGLL Q99685 1/20 0.33
PPARG P37231 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL10038465 0.86 KMT2A (0.39) MAPTL3MBTL1LMNAALDH1A1RAB9A
SCHEMBL10038471 0.80 MGLL (0.49) HPGDNPSR1LMNAALDH1A1CACNA1B
SCHEMBL4391609 0.75 MGLL (0.49) HPGDKDM4EPOLBLMNAALDH1A1
SCHEMBL94147 0.74 MGLL (0.46) NPSR1RAB9AMGLL
SCHEMBL10038464 0.74 POLB (0.46) HPGDKDM4EMAPTL3MBTL1POLB
SCHEMBL28434246 0.74 MGLL (0.59) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL15347091 0.73 RAB9A (0.55) MAPTL3MBTL1POLBLMNARAB9A
SCHEMBL419937 0.72 THRB (0.41) KDM4EMAPTL3MBTL1ALDH1A1HTT
SCHEMBL8468148 0.72 LMNA (0.49) HPGDKDM4EMAPTL3MBTL1POLB
SCHEMBL720020 0.71 DRD2 (0.48) HPGDNPSR1KDM4EL3MBTL1HTT

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-8158748-B2 Hetero-functional compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2012-04-17 US disclosed
US-8158748-B2 Hetero-functional compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2012-04-17 US disclosed
US-20100041845-A1 HETERO-FUNCTIONAL COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2010-02-18 US disclosed
US-20100041845-A1 HETERO-FUNCTIONAL COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2010-02-18 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-20100041845-A1 HETERO-FUNCTIONAL COMPOUNDS AND METHODS FOR USE THEREOF C9, C3AR1, C1S HPGD 1999/4885NPSR1 560/4885KDM4E 3373/4885

“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.