SCHEMBL2707290

SCHEMBL2707290

Cc1ccc(-c2coc(COCc3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.53
ENPP1 P22413 5/20 0.53
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
DHODH Q02127 3/20 0.46
TSHR P16473 1/20 0.42
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
AR P10275 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
SREBF2 Q12772 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL18581467 0.90 ADRB1 (0.49) ENPP3ENPP1ADRB1ADRB3DHODH
SCHEMBL201354 0.86 DHODH (0.51) ENPP3ENPP1ADRB1ADRB3DHODH
SCHEMBL6330452 0.80 ADRB1 (0.57) ENPP3ENPP1ADRB1ADRB3NPC1
P-Xylene SCHEMBL19206957 0.74 TSHR (0.75) TSHRNPC1POLBRAB9AAR
SCHEMBL2756581 0.73 ENPP3 (0.43) ENPP3ENPP1ADRB1ADRB3TP53
SCHEMBL9440972 0.73 DHODH (0.44) ENPP3ENPP1ADRB1ADRB3DHODH
SCHEMBL257896 0.73 TSHR (0.71) TSHRNPC1POLBRAB9AAR
SCHEMBL2707288 0.72 ENPP3 (0.58) ENPP3ENPP1NPC1RAB9ATDP1
Toluene SCHEMBL19206951 0.71 TSHR (0.75) TSHRPOLBARTDP1L3MBTL1
SCHEMBL15711822 0.70 ENPP3 (0.54) ENPP3ENPP1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 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 (4 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 ENPP3 3522/4885ENPP1 2295/4885ADRB1 841/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ENPP3 3044/4885ENPP1 2146/4885ADRB1 1032/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 ENPP3 3086/4885ENPP1 1830/4885ADRB1 803/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 ENPP3 3044/4885ENPP1 2146/4885ADRB1 1032/4885

“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.