SCHEMBL2388913

SCHEMBL2388913

COC(=O)c1ccc(N2CCC(=Cc3ccccc3B3OC(C)(C)C(C)(C)O3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ OGA O60502 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL1955955 0.83 HTR6 (0.35) ALDH1A1KMT2ATSHRMAPTHSD17B10
SCHEMBL2386869 0.79 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AKMT2ATSHR
Dimethyl Sulfoxide SCHEMBL2405986 0.76 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AKMT2ATSHR
SCHEMBL29713882 0.70 BCL2L1 (0.47) ALDH1A1NPC1RAB9AKMT2ATSHR
SCHEMBL2387482 0.68 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2ATSHRHTT
SCHEMBL20704466 0.67 ERN1 (0.44) ALDH1A1KMT2AHTTMAPTHPGD
SCHEMBL1742121 0.67 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRHTTHPGD
SCHEMBL1359510 0.67 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AKMT2ATSHR
SCHEMBL23518652 0.66 RAB9A (0.56) ALDH1A1NPC1RAB9AKMT2ATSHR
SCHEMBL21875265 0.66 SMN1; SMN2 (0.55) ALDH1A1NPC1RAB9AKMT2AHTT

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 4257/4885NPC1 4421/4885RAB9A 3480/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885NPC1 4421/4885RAB9A 3480/4885

“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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