SCHEMBL10301532

SCHEMBL10301532

CCC(=O)C(Cn1cccc(O)c1=O)Cn1cccc(O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.45
VEGFA P15692 1/20 0.45
MMP2 P08253 7/20 0.43
MMP9 P14780 7/20 0.43
ERAP2 Q6P179 5/20 0.39
IL1RN P18510 3/20 0.39
ERAP1 Q9NZ08 3/20 0.39
BRD4 O60885 2/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL24067446 0.78 EGLN1 (0.51) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL2645984 0.76 EGLN1 (0.56) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL10465376 0.74 EGLN1 (0.54) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL9453904 0.74 EGLN1 (0.54) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL9453861 0.73 EGLN1 (0.53) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL13036960 0.71 EGLN1 (0.51) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL7256310 0.70 PARP1 (0.55) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL9453852 0.70 ALDH1A1 (0.54) EGLN1VEGFAMMP2MMP9NPC1
SCHEMBL5179205 0.69 EGLN1 (0.53) EGLN1VEGFAMMP2MMP9ERAP2
SCHEMBL16088173 0.69 ALDH1A1 (0.49) EGLN1VEGFAMMP2MMP9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156772-B2 Fluoride-releasing compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-13 US disclosed
US-20140088308-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-03-27 US disclosed
US-20120264939-A1 Fluoride-Releasing Compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-18 US disclosed
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 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 (3 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-20140088308-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD EGLN1 2227/4885VEGFA 4288/4885MMP2 930/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD EGLN1 2227/4885VEGFA 4288/4885MMP2 930/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD EGLN1 2227/4885VEGFA 4288/4885MMP2 930/4885

“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.