SCHEMBL21644522

SCHEMBL21644522

COc1cc(CCc2cc(C(C)C)c(O)cc2O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.52
TUBB P07437 5/20 0.52
TUBA3C P0DPH7 5/20 0.52
TUBA1B P68363 5/20 0.52
TUBA4A P68366 5/20 0.52
TUBB4B P68371 5/20 0.52
TUBB3 Q13509 5/20 0.52
TUBB2A Q13885 5/20 0.52
TUBB8 Q3ZCM7 5/20 0.52
TUBA3E Q6PEY2 5/20 0.52
TUBA1A Q71U36 5/20 0.52
TUBA1C Q9BQE3 5/20 0.52
TUBB6 Q9BUF5 5/20 0.52
TUBB2B Q9BVA1 5/20 0.52
TUBB1 Q9H4B7 5/20 0.52
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ABCB1 P08183 3/20 0.45
CYP19A1 P11511 1/20 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
SCHEMBL30779635 1.00 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30779644 0.78 HSP90AA1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21644611 0.78 HSP90AA1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21830463 0.75 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29492389 0.75 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29286367 0.74 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30079962 0.74 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21678005 0.74 TRPV1 (0.51)
SCHEMBL4464142 0.74 HTR2A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21644526 0.73 PTGS1 (0.47) HTR2BPTGS2

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
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
CN-111164074-A Heat shock protein 90 inhibitor 台北医学大学 2020-05-15 CN disclosed
US-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2020-02-06 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 (2 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-20200039923-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 TUBB4A 325/4885TUBB 152/4885TUBA3C 605/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 TUBB4A 325/4885TUBB 152/4885TUBA3C 605/4885

“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.