SCHEMBL6530427

SCHEMBL6530427

C#CCCOCc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IDO1 P14902 3/20 0.48
AGXT P21549 2/20 0.48
PYCR1 P32322 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
APP P05067 7/20 0.45
PDE2A O00408 1/20 0.42
MAOB P27338 1/20 0.42
CALM1 P0DP23 1/20 0.41
LTA4H P09960 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 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
SCHEMBL16614394 0.88 L3MBTL1 (0.57) TDP1L3MBTL1IDO1AGXTPYCR1
SCHEMBL5323565 0.87 L3MBTL1 (0.60) TDP1L3MBTL1IDO1AGXTPYCR1
SCHEMBL23015014 0.87 L3MBTL1 (0.60) TDP1L3MBTL1IDO1AGXTPYCR1
SCHEMBL23015037 0.84 L3MBTL1 (0.57) TDP1L3MBTL1IDO1AGXTPYCR1
SCHEMBL23014810 0.84 L3MBTL1 (0.57) TDP1L3MBTL1IDO1AGXTPYCR1
SCHEMBL25372049 0.84 L3MBTL1 (0.57) TDP1L3MBTL1IDO1AGXTPYCR1
SCHEMBL8499580 0.82 IDO1 (0.61) TDP1L3MBTL1IDO1AGXTCA1
SCHEMBL3803477 0.81 IDO1 (0.52) TDP1L3MBTL1IDO1AGXTPYCR1
SCHEMBL13278307 0.81 TDP1 (0.49) TDP1L3MBTL1IDO1AGXTCA1
SCHEMBL20569054 0.79 L3MBTL1 (0.51) TDP1L3MBTL1IDO1AGXTCA1

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
EP-2308861-B1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI R&D MAN CO LTD (JP) 2017-03-01 EP disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
US-20050239804-A1 Method for improved chemical synthesis of guanidinium alkaloids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-10-27 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-20050239804-A1 Method for improved chemical synthesis of guanidinium alkaloids PAICS, TYMS, IMPDH1 TDP1 904/4885L3MBTL1 2014/4885IDO1 379/4885

“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.