SCHEMBL2387482

SCHEMBL2387482

CCOC(=O)c1ccc(N2CCN(Cc3ccccc3B3OC(C)(C)C(C)(C)O3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ TSHR P16473 4/20 0.49
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PRMT1 Q99873 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ METAP1 P53582 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ UCHL1 P09936 1/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL1742187 0.80 ALDH1A1 (0.55) ALDH1A1TSHRDRD2DRD4DRD3
SCHEMBL2388861 0.80 PRMT1 (0.57) ALDH1A1TSHRDRD2DRD4DRD3
SCHEMBL8077183 0.80 ALDH1A1 (0.55) ALDH1A1TSHRDRD2DRD4DRD3
SCHEMBL9988519 0.78 HTR7 (0.67) ALDH1A1TSHRDRD2DRD4DRD3
SCHEMBL3318522 0.77 PRMT1 (0.68) ALDH1A1TSHRDRD4MAPTPRMT1
SCHEMBL2384596 0.76 MEN1 (0.53) ALDH1A1TSHRDRD2DRD4DRD3
SCHEMBL22015905 0.75 HPGD (0.65) ALDH1A1TSHRMAPTHTTNPSR1
SCHEMBL20188098 0.75 HPGD (0.65) ALDH1A1TSHRMAPTHTTNPSR1
SCHEMBL1743631 0.75 BCL2 (0.68) DRD2DRD4DRD3LMNAKDM4E
SCHEMBL2389687 0.75 MEN1 (0.52) ALDH1A1TSHRDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 — — EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 — — EP disclosed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 — — EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 — — US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 — — US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 — — US disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 — — WO disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 — — 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 (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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885TSHR 3724/4885DRD2 4630/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885TSHR 3724/4885DRD2 4630/4885

“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.

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