SCHEMBL4984795

SCHEMBL4984795

O=C(O)C(=O)c1c(C2CC2)[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SIRT1 Q96EB6 2/20 0.44

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
SCHEMBL5251920 0.82 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22204569 0.75 ALDH1A1 (0.63)
SCHEMBL30791409 0.75 ALDH1A1 (0.63)
SCHEMBL1559343 0.73 NR4A2 (0.63) KDM4ENPC1RAB9ACYP2D6
SCHEMBL10514956 0.73 HTR2C (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6672250 0.71 HTR3E (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11382802 0.71 HTR2A (0.51) TSHRBRD3
SCHEMBL10515890 0.70 HTR2A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5143038 0.70 KDM4E (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1538815 0.70 ALDH1A1 (0.50) KDM4ETDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 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-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 TUBB4A 2478/4885TUBB 2099/4885TUBA3C 3290/4885

“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.