SCHEMBL3914982

SCHEMBL3914982

COc1ccc2cc(C)n(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 5/20 0.81
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C2 P52895 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49
▸ TUBB2A Q13885 1/20 0.49
▸ TUBB8 Q3ZCM7 1/20 0.49
▸ TUBA3E Q6PEY2 1/20 0.49
▸ TUBA1A Q71U36 1/20 0.49
▸ TUBA1C Q9BQE3 1/20 0.49
▸ TUBB6 Q9BUF5 1/20 0.49
▸ TUBB2B Q9BVA1 1/20 0.49
▸ HDAC3 O15379 1/20 0.47

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
SCHEMBL3915235 0.90 TUBB1 (1.00) TUBB1AKR1C3AKR1C2ALDH1A1L3MBTL1
SCHEMBL5636786 0.79 TUBB1 (0.54) TUBB1ALDH1A1L3MBTL1TUBB4ATUBB
SCHEMBL11613879 0.78 TUBB1 (0.75) TUBB1AKR1C3AKR1C2ALDH1A1L3MBTL1
SCHEMBL3919337 0.75 TUBB1 (1.00) TUBB1ALDH1A1L3MBTL1TUBB4ATUBB
SCHEMBL5635961 0.73 TUBB1 (0.47) TUBB1ALDH1A1L3MBTL1TUBB4ATUBB
SCHEMBL16746715 0.72 AKR1C3 (0.81) TUBB1AKR1C3AKR1C2ALDH1A1L3MBTL1
SCHEMBL12685163 0.72 NR1H2 (0.49) TUBB1AKR1C3AKR1C2ALDH1A1
SCHEMBL29941900 0.70 AKR1C3 (0.77) TUBB1AKR1C3AKR1C2ALDH1A1L3MBTL1
SCHEMBL29481380 0.70 AKR1C3 (1.00) TUBB1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL11037919 0.70 AKR1C3 (1.00) TUBB1AKR1C3AKR1C2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632955-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-12-15 — — US claimed
US-20050267108-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-12-01 — — US claimed
US-20050267194-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-12-01 — — US claimed
US-7632955-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-12-15 — — US disclosed
US-7632955-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-12-15 — — US disclosed
US-7632955-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-12-15 — — US disclosed
US-7528165-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-05-05 — — US disclosed
US-7528165-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-05-05 — — US disclosed
US-7528165-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-05-05 — — US disclosed
US-20050267108-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-12-01 — — US disclosed
US-20050267194-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-12-01 — — 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-20050267108-A1 Indole compounds TUBB1, TUBB3, TUBB TUBB1 1/4885AKR1C3 488/4885AKR1C2 487/4885
US-20050267194-A1 Indole compounds TUBB1, TUBB, TUBB3 TUBB1 1/4885AKR1C3 407/4885AKR1C2 393/4885

“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.

Send feedback