SCHEMBL7129763

SCHEMBL7129763

COc1cc(C(=O)C2CCC2c2ccc(F)c(O)c2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 10/20 0.50
TUBB4A P04350 8/20 0.50
TUBB P07437 8/20 0.50
TUBA3C P0DPH7 8/20 0.50
TUBA1B P68363 8/20 0.50
TUBA4A P68366 8/20 0.50
TUBB4B P68371 8/20 0.50
TUBB3 Q13509 8/20 0.50
TUBB2A Q13885 8/20 0.50
TUBB8 Q3ZCM7 8/20 0.50
TUBA3E Q6PEY2 8/20 0.50
TUBA1A Q71U36 8/20 0.50
TUBA1C Q9BQE3 8/20 0.50
TUBB6 Q9BUF5 8/20 0.50
TUBB2B Q9BVA1 8/20 0.50
KRAS P01116 1/20 0.39
KDM1A O60341 2/20 0.39
TPMT P51580 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7116827 0.93 TUBB1 (0.45) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7129729 0.92 TUBB1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6860045 0.92 TUBB1 (0.47) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7121019 0.90 TUBB1 (0.46) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6860006 0.89 TUBB1 (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6322469 0.87 TUBB1 (0.49) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7118624 0.87 TUBB4A (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7114748 0.84 TUBB4A (0.48) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6860065 0.82 TUBB1 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6315371 0.82 TUBB4A (0.39) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2003-08-07 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-20030149072-A1 Substituted arylcycloalkanes, compositions containing them and use thereof ABL1, MCL1, AHR TUBB1 1801/4885TUBB4A 1571/4885TUBB 1991/4885

“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.