Sugi Predict

Sugi Predict / Compounds / SCHEMBL8986937

SCHEMBL8986937

SCHEMBL8986937

COc1ccc(OC)c(OC)c1CCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 1/20 0.43
▸ TUBB1 Q9H4B7 3/20 0.42
▸ ALOX5 P09917 4/20 0.41
▸ TUBB4A P04350 2/20 0.39
▸ TUBB P07437 2/20 0.39
▸ TUBA3C P0DPH7 2/20 0.39
▸ TUBA1B P68363 2/20 0.39
▸ TUBA4A P68366 2/20 0.39
▸ TUBB4B P68371 2/20 0.39
▸ TUBB3 Q13509 2/20 0.39
▸ TUBB2A Q13885 2/20 0.39
▸ TUBB8 Q3ZCM7 2/20 0.39
▸ TUBA3E Q6PEY2 2/20 0.39
▸ TUBA1A Q71U36 2/20 0.39
▸ TUBA1C Q9BQE3 2/20 0.39
▸ TUBB6 Q9BUF5 2/20 0.39
▸ TUBB2B Q9BVA1 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL9053988 0.88 CA2 (0.41) TUBB1ALOX5TUBB4ATUBBTUBA3C
SCHEMBL12985738 0.83 AOC3 (0.39) TNKS2TUBB1ALOX5TUBB4ATUBB
SCHEMBL8366004 0.80 TNKS2 (0.46) TNKS2ALOX5KDM4EPOLBSMN1; SMN2
SCHEMBL4774241 0.79 AOC3 (0.56) TNKS2TUBB1KDM4EPOLBSMN1; SMN2
SCHEMBL5248689 0.77 CA2 (0.46) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28957715 0.77 TNKS2 (0.47) TNKS2TUBB1ALOX5TUBB4ATUBB
SCHEMBL14655579 0.76 HTR2A (0.52) KDM4EAOC3TSHR
SCHEMBL5879461 0.75 CA1 (0.40) TNKS2KDM4EPOLBCA2
SCHEMBL11211183 0.75 AOC3 (0.41) TNKS2TUBB1CA2CA4AOC3
SCHEMBL31616437 0.75 LMNA (0.42) TUBB1ALOX5SMN1; SMN2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188306-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2012-05-29 — — US disclosed
US-8188306-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2012-05-29 — — US disclosed
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2010-04-22 — — US disclosed
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2010-04-22 — — US disclosed
US-7605288-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2009-10-20 — — US disclosed
US-7605288-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2009-10-20 — — US disclosed
US-20070197787-A1 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS 2007-08-23 — — US disclosed
US-20070197787-A1 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS 2007-08-23 — — US disclosed
US-7208630-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2007-04-24 — — US disclosed
US-7208630-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2007-04-24 — — 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-20070197787-A1 Heat shock protein 90 inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 TNKS2 1967/4885TUBB1 633/4885ALOX5 4000/4885
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB2P, HSPH1, HSP90AA1 TNKS2 2264/4885TUBB1 451/4885ALOX5 3970/4885

“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.